N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine

C101H111ClF2N20 — CID 158691452

IUPACN-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine
SMILESCC(C)(c1ccccc1)c1cccnc1CN(CCC1=CN=CC1)Cc1ncccc1Cl.Cc1cccnc1CN(CCC1=CN=CC1)Cc1ncccc1C(C)(C)c1ccccc1.Cn1c(CN(CCc2cnc[nH]2)[C@H]2CCCc3cccnc32)nc2c(F)cccc21.Cn1c(CN(CCc2cnc[nH]2)[C@H]2CCCc3cccnc32)nc2ccc(F)cc21
InChIInChI=1S/C28H32N4.C27H29ClN4.2C23H25FN6/c1-22-9-7-15-30-26(22)20-32(18-14-23-13-17-29-19-23)21-27-25(12-8-16-31-27)28(2,3)24-10-5-4-6-11-24;1-27(2,22-8-4-3-5-9-22)23-10-6-14-30-25(23)19-32(17-13-21-12-16-29-18-21)20-26-24(28)11-7-15-31-26;1-29-19-8-3-7-18(24)23(19)28-21(29)14-30(12-10-17-13-25-15-27-17)20-9-2-5-16-6-4-11-26-22(16)20;1-29-21-12-17(24)7-8-19(21)28-22(29)14-30(11-9-18-13-25-15-27-18)20-6-2-4-16-5-3-10-26-23(16)20/h4-12,15-17,19H,13-14,18,20-21H2,1-3H3;3-11,14-16,18H,12-13,17,19-20H2,1-2H3;3-4,6-8,11,13,15,20H,2,5,9-10,12,14H2,1H3,(H,25,27);3,5,7-8,10,12-13,15,20H,2,4,6,9,11,14H2,1H3,(H,25,27)/t;;2*20-/m..00/s1
InChIKeyIGJZEIQNKACKBW-UZESLNDCSA-N
MW1678.59 g/mol
LogP19.97
Rot. Bonds30

About N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine

N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine (PubChem CID 158691452) has the molecular formula C101H111ClF2N20 and a molecular weight of 1678.59 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine
PubChem CID158691452
Molecular FormulaC101H111ClF2N20
Molecular Weight1678.59 g/mol
Exact Mass1676.90
IUPAC NameN-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine
SMILESCC(C)(c1ccccc1)c1cccnc1CN(CCC1=CN=CC1)Cc1ncccc1Cl.Cc1cccnc1CN(CCC1=CN=CC1)Cc1ncccc1C(C)(C)c1ccccc1.Cn1c(CN(CCc2cnc[nH]2)[C@H]2CCCc3cccnc32)nc2c(F)cccc21.Cn1c(CN(CCc2cnc[nH]2)[C@H]2CCCc3cccnc32)nc2ccc(F)cc21
InChIInChI=1S/C28H32N4.C27H29ClN4.2C23H25FN6/c1-22-9-7-15-30-26(22)20-32(18-14-23-13-17-29-19-23)21-27-25(12-8-16-31-27)28(2,3)24-10-5-4-6-11-24;1-27(2,22-8-4-3-5-9-22)23-10-6-14-30-25(23)19-32(17-13-21-12-16-29-18-21)20-26-24(28)11-7-15-31-26;1-29-19-8-3-7-18(24)23(19)28-21(29)14-30(12-10-17-13-25-15-27-17)20-9-2-5-16-6-4-11-26-22(16)20;1-29-21-12-17(24)7-8-19(21)28-22(29)14-30(11-9-18-13-25-15-27-18)20-6-2-4-16-5-3-10-26-23(16)20/h4-12,15-17,19H,13-14,18,20-21H2,1-3H3;3-11,14-16,18H,12-13,17,19-20H2,1-2H3;3-4,6-8,11,13,15,20H,2,5,9-10,12,14H2,1H3,(H,25,27);3,5,7-8,10,12-13,15,20H,2,4,6,9,11,14H2,1H3,(H,25,27)/t;;2*20-/m..00/s1
InChIKeyIGJZEIQNKACKBW-UZESLNDCSA-N
XLogP19.97
TPSA208.02 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.59
LogP ≤ 519.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine with MolForge

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Related Compounds

2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 1,10-phenanthroline; pyrazine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980901
n-(3-Chloro-5-(trifluoromethyl)-2-pyridinylmethyl)-n'-(1h-benzimidazol-2-ylmethyl)-n'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
CID 22018690
2-[1-[1,4-bis(1-methylpiperidin-4-yl)butyl]-3-chloroindol-4-yl]-5,6-difluoro-1H-benzimidazole
CID 69042090
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 69328692
4-(3a,4,6,6a-tetrahydro-3H-pyrrolo[2,3-c]pyrrol-5-yl)-2-[[7-[[[4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-2-(1,5-naphthyridin-3-ylmethyl)-9H-pyrimido[4,5-b]indol-8-yl]amino]methyl]-1,5-naphthyridin-3-yl]methyl]-6-fluoro-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 123788773
N-(3-chloro-4-fluorophenyl)-3-[2-(7-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,4'-cyclohexane]-1'-yl]-1H-benzimidazol-3-ium-2-amine
CID 123831496
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[[[3-chloro-5-(difluoromethyl)-2-pyridinyl]methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 142124004
2-[4-(5-chloro-2-fluorophenyl)-1H-imidazol-5-yl]-7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1,5-naphthyridine
CID 146662225
2-[4-[3-[[2-[3-[3-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]phenyl]-9H-purin-6-yl]amino]phenyl]-6-(trifluoromethyl)-2-pyridinyl]-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine
CID 155249069
N'-[4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-2-[(2-methylpyrimidin-5-yl)methyl]-9H-pyrimido[4,5-b]indol-8-yl]-N-[(2R,3R)-5-[6-fluoro-8-(methylamino)-2-[(2-methylpyrimidin-5-yl)methyl]-9H-pyrimido[4,5-b]indol-4-yl]-5-azaspiro[2.4]heptan-2-yl]methanediamine
CID 155392411
4-[(4R,5R,7R)-5-[[[4-[(1S,4R,5R,7R)-5-amino-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-2-(pyridin-3-ylamino)-9H-pyrimido[4,5-b]indol-8-yl]amino]methylamino]-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-8-N-methyl-2-N-pyrido[2,3-b]pyrazin-7-yl-9H-pyrimido[4,5-b]indole-2,8-diamine
CID 155392416
7-[5-chloro-6-[(2S,6R)-6-[3-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]-2-[(2R,6S)-6-[5-[2-[(2R,6S)-6-(3-chloro-2-pyridinyl)piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 156281651

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine (CID 158691452) is N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine is CC(C)(c1ccccc1)c1cccnc1CN(CCC1=CN=CC1)Cc1ncccc1Cl.Cc1cccnc1CN(CCC1=CN=CC1)Cc1ncccc1C(C)(C)c1ccccc1.Cn1c(CN(CCc2cnc[nH]2)[C@H]2CCCc3cccnc32)nc2c(F)cccc21.Cn1c(CN(CCc2cnc[nH]2)[C@H]2CCCc3cccnc32)nc2ccc(F)cc21.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine?
The InChIKey is IGJZEIQNKACKBW-UZESLNDCSA-N. The full InChI is InChI=1S/C28H32N4.C27H29ClN4.2C23H25FN6/c1-22-9-7-15-30-26(22)20-32(18-14-23-13-17-29-19-23)21-27-25(12-8-16-31-27)28(2,3)24-10-5-4-6-11-24;1-27(2,22-8-4-3-5-9-22)23-10-6-14-30-25(23)19-32(17-13-21-12-16-29-18-21)20-26-24(28)11-7-15-31-26;1-29-19-8-3-7-18(24)23(19)28-21(29)14-30(12-10-17-13-25-15-27-17)20-9-2-5-16-6-4-11-26-22(16)20;1-29-21-12-17(24)7-8-19(21)28-22(29)14-30(11-9-18-13-25-15-27-18)20-6-2-4-16-5-3-10-26-23(16)20/h4-12,15-17,19H,13-14,18,20-21H2,1-3H3;3-11,14-16,18H,12-13,17,19-20H2,1-2H3;3-4,6-8,11,13,15,20H,2,5,9-10,12,14H2,1H3,(H,25,27);3,5,7-8,10,12-13,15,20H,2,4,6,9,11,14H2,1H3,(H,25,27)/t;;2*20-/m..00/s1.
What are the key properties of N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine?
N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine has a molecular weight of 1678.59 g/mol, XLogP of 19.97, 30 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine;(8S)-N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine;N-[(3-methyl-2-pyridinyl)methyl]-N-[[3-(2-phenylpropan-2-yl)-2-pyridinyl]methyl]-2-(3H-pyrrol-4-yl)ethanamine is sourced from PubChem (CID 158691452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).