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Tertiary amines

Organic compounds and functional groups that contain a basic nitrogen atom with a lone pair. Tertiary amines have a nitrogen atom are bonded to three carbon atoms or other functional groups.

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1

Nevirapine, 98%

CAS: 129618-40-2 Molecular Formula: C15H14N4O Molecular Weight (g/mol): 266.3 InChI Key: NQDJXKOVJZTUJA-UHFFFAOYSA-N Synonym: nevirapine,viramune,bi-rg-587,viramune xr,nvp,birg587,11-cyclopropyl-4-methyl-5,11-dihydro-6h-dipyrido 3,2-b:2',3'-e 1,4 diazepin-6-one,nevirapine usan:inn,unii-99dk7fvk1h,11-cyclopropyl-5,11-dihydro-4-methyl-6h-dipyrido 3,2-b:2',3'-e 1,4 diazepin-6-one PubChem CID: 4463 ChEBI: CHEBI:63613 IUPAC Name: 11-cyclopropyl-4-methyl-5H-dipyrido[2,3-e SMILES: CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4

PubChem CID 4463
CAS 129618-40-2
Molecular Weight (g/mol) 266.3
ChEBI CHEBI:63613
SMILES CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
Synonym nevirapine,viramune,bi-rg-587,viramune xr,nvp,birg587,11-cyclopropyl-4-methyl-5,11-dihydro-6h-dipyrido 3,2-b:2',3'-e 1,4 diazepin-6-one,nevirapine usan:inn,unii-99dk7fvk1h,11-cyclopropyl-5,11-dihydro-4-methyl-6h-dipyrido 3,2-b:2',3'-e 1,4 diazepin-6-one
IUPAC Name 11-cyclopropyl-4-methyl-5H-dipyrido[2,3-e
InChI Key NQDJXKOVJZTUJA-UHFFFAOYSA-N
Molecular Formula C15H14N4O
2

2,4-Diamino-6-piperidinopyrimidine (Desoxyminoxidil), TRC

CAS: 24867-26-3 Molecular Formula: C9 H15 N5 Molecular Weight (g/mol): 193.25 Synonym: 6-(Piperidin-1-yl)pyrimidine-2,4-diamine,Minoxidil Imp. E (EP),Desoxyminoxidil IUPAC Name: 6-piperidin-1-ylpyrimidine-2,4-diamine SMILES: Nc1cc(nc(N)n1)N2CCCCC2

CAS 24867-26-3
Molecular Weight (g/mol) 193.25
SMILES Nc1cc(nc(N)n1)N2CCCCC2
Synonym 6-(Piperidin-1-yl)pyrimidine-2,4-diamine,Minoxidil Imp. E (EP),Desoxyminoxidil
IUPAC Name 6-piperidin-1-ylpyrimidine-2,4-diamine
Molecular Formula C9 H15 N5
3

2-(Bismethyl)aminomethylcyclohexanone Hydrochloride, TRC

CAS: 42036-65-7 Molecular Formula: C9 H17 N O . Cl H Molecular Weight (g/mol): 191.7 Synonym: (2RS)-2-[(Dimethylamino)methyl]cyclohexanone Hydrochloride,Tramadol Hydrochloride Imp. E (EP) as Hydrochloride IUPAC Name: 2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride SMILES: Cl.CN(C)CC1CCCCC1=O

CAS 42036-65-7
Molecular Weight (g/mol) 191.7
SMILES Cl.CN(C)CC1CCCCC1=O
Synonym (2RS)-2-[(Dimethylamino)methyl]cyclohexanone Hydrochloride,Tramadol Hydrochloride Imp. E (EP) as Hydrochloride
IUPAC Name 2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride
Molecular Formula C9 H17 N O . Cl H
5

Nevirapine, TRC

CAS: 129618-40-2 Molecular Formula: C15 H14 N4 O Molecular Weight (g/mol): 266.3 Synonym: Nevirapine Anhydrous,6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl- (9CI),BI-RG 587,NSC 641530,Nevarapine,Nevirapine,Viramune IUPAC Name: 11-cyclopropyl-4-methyl-5H-dipyrido[2,3-b:3',2'-e][1,4]diazepin-6-one SMILES: Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12

CAS 129618-40-2
Molecular Weight (g/mol) 266.3
SMILES Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
Synonym Nevirapine Anhydrous,6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl- (9CI),BI-RG 587,NSC 641530,Nevarapine,Nevirapine,Viramune
IUPAC Name 11-cyclopropyl-4-methyl-5H-dipyrido[2,3-b:3',2'-e][1,4]diazepin-6-one
Molecular Formula C15 H14 N4 O
7

(4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)methanol, 97%, Thermo Scientific™

CAS: 921938-81-0 Molecular Formula: C9H12N2O2 Molecular Weight (g/mol): 180.207 MDL Number: MFCD09817507 InChI Key: PPBFQXGUORHMBA-UHFFFAOYSA-N Synonym: 4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazin-7-yl methanol,4-methyl-2h,3h-pyrido 3,2-b 1,4 oxazin-7-yl methanol,4-methyl-2h,3h-pyridino 2,3-e 1,4-oxazin-7-yl methan-1-ol,2h-pyrido 3,2-b-1,4-oxazine-7-methanol,3,4-dihydro-4-methyl PubChem CID: 24229648 IUPAC Name: (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanol SMILES: CN1CCOC2=C1N=CC(=C2)CO

PubChem CID 24229648
CAS 921938-81-0
Molecular Weight (g/mol) 180.207
MDL Number MFCD09817507
SMILES CN1CCOC2=C1N=CC(=C2)CO
Synonym 4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazin-7-yl methanol,4-methyl-2h,3h-pyrido 3,2-b 1,4 oxazin-7-yl methanol,4-methyl-2h,3h-pyridino 2,3-e 1,4-oxazin-7-yl methan-1-ol,2h-pyrido 3,2-b-1,4-oxazine-7-methanol,3,4-dihydro-4-methyl
IUPAC Name (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanol
InChI Key PPBFQXGUORHMBA-UHFFFAOYSA-N
Molecular Formula C9H12N2O2
8

4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonitrile, 97%, Thermo Scientific™

CAS: 912569-63-2 Molecular Formula: C9H9N3O Molecular Weight (g/mol): 175.191 MDL Number: MFCD09065019 InChI Key: VLSVLSBIHZDQTF-UHFFFAOYSA-N Synonym: 4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazine-7-carbonitrile,4-methyl-2h,3h-pyrido 3,2-b 1,4 oxazine-7-carbonitrile,4-methyl-2h,3h-pyridino 2,3-e 1,4-oxazine-7-carbonitrile,2h-pyrido 3,2-b-1,4-oxazine-7-carbonitrile,3,4-dihydro-4-methyl PubChem CID: 24229651 IUPAC Name: 4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonitrile SMILES: CN1CCOC2=C1N=CC(=C2)C#N

PubChem CID 24229651
CAS 912569-63-2
Molecular Weight (g/mol) 175.191
MDL Number MFCD09065019
SMILES CN1CCOC2=C1N=CC(=C2)C#N
Synonym 4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazine-7-carbonitrile,4-methyl-2h,3h-pyrido 3,2-b 1,4 oxazine-7-carbonitrile,4-methyl-2h,3h-pyridino 2,3-e 1,4-oxazine-7-carbonitrile,2h-pyrido 3,2-b-1,4-oxazine-7-carbonitrile,3,4-dihydro-4-methyl
IUPAC Name 4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonitrile
InChI Key VLSVLSBIHZDQTF-UHFFFAOYSA-N
Molecular Formula C9H9N3O
9

N-Methyl(4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)methylamine, 97%, Thermo Scientific™

CAS: 921938-85-4 Molecular Formula: C10H15N3O Molecular Weight (g/mol): 193.25 MDL Number: MFCD09817509 InChI Key: SMECUBWISXUYSV-UHFFFAOYSA-N Synonym: n-methyl 4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazin-7-yl methylamine,methyl 4-methyl-2h,3h-pyrido 3,2-b 1,4 oxazin-7-yl methyl amine,n-methyl-1-4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazin-7-yl methanamine,methyl 4-methyl 2h,3h-pyridino 2,3-e 1,4-oxazin-7-yl methyl amine,n-methyl-4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazin-7-yl methylamine,n-methyl-1-3,4-dihydro-4-methyl-2h-pyrido 3,2-b 1,4 oxazin-7-yl methylamine PubChem CID: 24229654 IUPAC Name: N-methyl-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanamine SMILES: CNCC1=CC2=C(N=C1)N(C)CCO2

PubChem CID 24229654
CAS 921938-85-4
Molecular Weight (g/mol) 193.25
MDL Number MFCD09817509
SMILES CNCC1=CC2=C(N=C1)N(C)CCO2
Synonym n-methyl 4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazin-7-yl methylamine,methyl 4-methyl-2h,3h-pyrido 3,2-b 1,4 oxazin-7-yl methyl amine,n-methyl-1-4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazin-7-yl methanamine,methyl 4-methyl 2h,3h-pyridino 2,3-e 1,4-oxazin-7-yl methyl amine,n-methyl-4-methyl-3,4-dihydro-2h-pyrido 3,2-b 1,4 oxazin-7-yl methylamine,n-methyl-1-3,4-dihydro-4-methyl-2h-pyrido 3,2-b 1,4 oxazin-7-yl methylamine
IUPAC Name N-methyl-1-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanamine
InChI Key SMECUBWISXUYSV-UHFFFAOYSA-N
Molecular Formula C10H15N3O
10

DMAB-anabaseine Dihydrochloride, TRC

CAS: 154149-38-9 Molecular Formula: C19 H21 N3 . 2[H Cl] Molecular Weight (g/mol): 364.31 Synonym: 4-[(5,6-Dihydro[2,3'-bipyridin]-3(4H)-ylidene)methyl]-N,N-dimethylbenzenamine Dihydrochloride; IUPAC Name: N,N-dimethyl-4-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]aniline;dihydrochloride SMILES: Cl.Cl.CN(C)c1ccc(\C=C\2/CCCN=C2c3cccnc3)cc1

CAS 154149-38-9
Molecular Weight (g/mol) 364.31
SMILES Cl.Cl.CN(C)c1ccc(\C=C\2/CCCN=C2c3cccnc3)cc1
Synonym 4-[(5,6-Dihydro[2,3'-bipyridin]-3(4H)-ylidene)methyl]-N,N-dimethylbenzenamine Dihydrochloride;
IUPAC Name N,N-dimethyl-4-[(E)-[6-(3-pyridyl)-3,4-dihydro-2H-pyridin-5-ylidene]methyl]aniline;dihydrochloride
Molecular Formula C19 H21 N3 . 2[H Cl]
11

Disulfiram, TRC

CAS: 97-77-8 Molecular Formula: C10 H20 N2 S4 Molecular Weight (g/mol): 296.54 Synonym: Disulfiram,tetraethyldisulfanedicarbothioamide,Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetraethyl-,Disulfide, bis(diethylthiocarbamoyl) (8CI),Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl- (9CI),Abstensil,Abstinil,Abstinyl,Accel TET,Accel TET-R,Akrochem TETD,Alcophobin,Antabus,Antabuse,Antadix,Antaethyl,Antalcol,Antetan,Antetil,Anticol,Antietanol,Antietil,Antikol,Antivitium,Aversan,Averzan,Bis(N,N-diethylthiocarbamoyl) disulfide,Bis(diethylthiocarbamoyl) disulfide,Contralin,Cronetal,Curekind TETD,Dicupral,Disulfiram,Ekagom DTET,Ekagom TEDS,Ekagom TETDS,Espenal,Esperal,Etabus,Ethyl Thiram,Ethyl Thiurad,Ethyl Tuads,Ethyl Tuex,Etiltox,Exhoran,Exhorran,Hoca,Krotenal,N,N,N',N'-Tetraethyldithiuram disulfide,N,N,N',N'-Tetraethylthiuram disulfide,NSC 25953,Nocceler TED,Nocceler TET,Nocceler TET-G,Noxal,Refusal,Sanceler TET,Sanceler TET-G,Soxinol TET,Stopetyl,TETD,TTD,TTs,Tetradin,Tetradine,Tetraethyldithiuram disulfide,Tetraethylthioperoxydicarbonic diamide,Tetraethylthiram disulfide,Tetraethylthiuram,Tetraethylthiuram disulfide,Tetraethylthiuram sulfide,Tetraetil,Teturam,Teturamin,Thiuram E,Thiuranide IUPAC Name: diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate SMILES: CCN(CC)C(=S)SSC(=S)N(CC)CC

CAS 97-77-8
Molecular Weight (g/mol) 296.54
SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Synonym Disulfiram,tetraethyldisulfanedicarbothioamide,Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetraethyl-,Disulfide, bis(diethylthiocarbamoyl) (8CI),Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl- (9CI),Abstensil,Abstinil,Abstinyl,Accel TET,Accel TET-R,Akrochem TETD,Alcophobin,Antabus,Antabuse,Antadix,Antaethyl,Antalcol,Antetan,Antetil,Anticol,Antietanol,Antietil,Antikol,Antivitium,Aversan,Averzan,Bis(N,N-diethylthiocarbamoyl) disulfide,Bis(diethylthiocarbamoyl) disulfide,Contralin,Cronetal,Curekind TETD,Dicupral,Disulfiram,Ekagom DTET,Ekagom TEDS,Ekagom TETDS,Espenal,Esperal,Etabus,Ethyl Thiram,Ethyl Thiurad,Ethyl Tuads,Ethyl Tuex,Etiltox,Exhoran,Exhorran,Hoca,Krotenal,N,N,N',N'-Tetraethyldithiuram disulfide,N,N,N',N'-Tetraethylthiuram disulfide,NSC 25953,Nocceler TED,Nocceler TET,Nocceler TET-G,Noxal,Refusal,Sanceler TET,Sanceler TET-G,Soxinol TET,Stopetyl,TETD,TTD,TTs,Tetradin,Tetradine,Tetraethyldithiuram disulfide,Tetraethylthioperoxydicarbonic diamide,Tetraethylthiram disulfide,Tetraethylthiuram,Tetraethylthiuram disulfide,Tetraethylthiuram sulfide,Tetraetil,Teturam,Teturamin,Thiuram E,Thiuranide
IUPAC Name diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
Molecular Formula C10 H20 N2 S4
12

5-Methylpyridine-2-boronic acid N-phenyldiethanolamine ester, 50-70%, see CofA for e, Thermo Scientific™

CAS: 872054-54-1 Molecular Formula: C16H19BN2O2 Molecular Weight (g/mol): 282.15 InChI Key: AVMWJACSYAQNDG-UHFFFAOYSA-N Synonym: 5-methylpyridine-2-boronic acid n-phenyldiethanolamine ester,2-5-methylpyridin-2-yl-6-phenyl-1,3,6,2-dioxazaborocane,5-methyl-2-pyridineboronic acid n-phenyldiethanolamine ester,2-5-methyl-pyridin-2-yl-6-phenyl-1,3,6,2 dioxazaborolane,2-5-methyl-2-pyridinyl-6-phenyl-1,3,6,2-dioxazaborocane,2-5-methyl-2-pyridinyl-6-phenyl-5,6,7,8-tetrahydro-4h-1,3,6,2-dioxazaborocine PubChem CID: 16217859 IUPAC Name: 2-(5-methylpyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane SMILES: B1(OCCN(CCO1)C2=CC=CC=C2)C3=NC=C(C=C3)C

PubChem CID 16217859
CAS 872054-54-1
Molecular Weight (g/mol) 282.15
SMILES B1(OCCN(CCO1)C2=CC=CC=C2)C3=NC=C(C=C3)C
Synonym 5-methylpyridine-2-boronic acid n-phenyldiethanolamine ester,2-5-methylpyridin-2-yl-6-phenyl-1,3,6,2-dioxazaborocane,5-methyl-2-pyridineboronic acid n-phenyldiethanolamine ester,2-5-methyl-pyridin-2-yl-6-phenyl-1,3,6,2 dioxazaborolane,2-5-methyl-2-pyridinyl-6-phenyl-1,3,6,2-dioxazaborocane,2-5-methyl-2-pyridinyl-6-phenyl-5,6,7,8-tetrahydro-4h-1,3,6,2-dioxazaborocine
IUPAC Name 2-(5-methylpyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
InChI Key AVMWJACSYAQNDG-UHFFFAOYSA-N
Molecular Formula C16H19BN2O2
14

(2E,4E)-1-Phenyl-4-(1,3,3-trimethyl-2-indolinylidene)-2-buten-1-one, 95%, Thermo Scientific™

CAS: 14575-25-8 Molecular Formula: C21H21NO Molecular Weight (g/mol): 303.405 MDL Number: MFCD06409497 InChI Key: FWAPKZOTGYVZSA-UHFFFAOYSA-N Synonym: e-1-phenyl-4-e-1,3,3-trimethylindolin-2-ylidene but-2-en-1-one,2-buten-1-one,4-1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene-1-phenyl,1-phenyl-4-1,3,3-trimethylindol-2-ylidene but-2-en-1-one,1-phenyl-4-1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene but-2-en-1-one PubChem CID: 53427010 IUPAC Name: 1-phenyl-4-(1,3,3-trimethylindol-2-ylidene)but-2-en-1-one SMILES: CC1(C2=CC=CC=C2N(C1=CC=CC(=O)C3=CC=CC=C3)C)C

PubChem CID 53427010
CAS 14575-25-8
Molecular Weight (g/mol) 303.405
MDL Number MFCD06409497
SMILES CC1(C2=CC=CC=C2N(C1=CC=CC(=O)C3=CC=CC=C3)C)C
Synonym e-1-phenyl-4-e-1,3,3-trimethylindolin-2-ylidene but-2-en-1-one,2-buten-1-one,4-1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene-1-phenyl,1-phenyl-4-1,3,3-trimethylindol-2-ylidene but-2-en-1-one,1-phenyl-4-1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene but-2-en-1-one
IUPAC Name 1-phenyl-4-(1,3,3-trimethylindol-2-ylidene)but-2-en-1-one
InChI Key FWAPKZOTGYVZSA-UHFFFAOYSA-N
Molecular Formula C21H21NO