N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C27H32N4 — CID 135313775

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1cccc(CN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)c1
InChIInChI=1S/C27H32N4/c28-16-20-6-3-7-21(14-20)18-31(26-12-4-10-22-11-5-13-29-27(22)26)19-25-15-23-8-1-2-9-24(23)17-30-25/h1-3,5-9,11,13-14,25-26,30H,4,10,12,15-19,28H2
InChIKeyMUQGXMRSNYTSLA-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.13
Rot. Bonds6

About N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 135313775) has the molecular formula C27H32N4 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID135313775
Molecular FormulaC27H32N4
Molecular Weight412.58 g/mol
Exact Mass412.26
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1cccc(CN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)c1
InChIInChI=1S/C27H32N4/c28-16-20-6-3-7-21(14-20)18-31(26-12-4-10-22-11-5-13-29-27(22)26)19-25-15-23-8-1-2-9-24(23)17-30-25/h1-3,5-9,11,13-14,25-26,30H,4,10,12,15-19,28H2
InChIKeyMUQGXMRSNYTSLA-UHFFFAOYSA-N
XLogP4.13
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

(8S)-N-[[4-(aminomethyl)phenyl]methyl]-N-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 135314388
(8S)-N-[[4-(aminomethyl)phenyl]methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-7-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398434
(E)-N-(pyridin-4-ylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
CID 135314390
N-[(6-methyl-2-pyridinyl)methyl]-N-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22256428
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 20747305
N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N'-(5,6,7,8-tetrahydroquinolin-3-ylmethyl)butane-1,4-diamine
CID 69493718
(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 166508327
(8S)-N-[[(1S,2S)-2-(aminomethyl)cyclopropyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 138722741
(8S)-N-methyl-N-[[(3S)-5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3S)-5-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;(8S)-N-methyl-N-[[(3R)-5-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 157300666
(8S)-N-methyl-N-[[(3S)-5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 157300669
N-(1H-benzimidazol-2-ylmethyl)-N-[[3-[[(2,6-dichloropyrimidin-4-yl)methylamino]methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 58659485
(8S)-N-[[(3R)-5-morpholin-4-yl-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-(3-piperidin-4-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 166488267

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 135313775) is N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is NCc1cccc(CN(CC2Cc3ccccc3CN2)C2CCCc3cccnc32)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MUQGXMRSNYTSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4/c28-16-20-6-3-7-21(14-20)18-31(26-12-4-10-22-11-5-13-29-27(22)26)19-25-15-23-8-1-2-9-24(23)17-30-25/h1-3,5-9,11,13-14,25-26,30H,4,10,12,15-19,28H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 412.58 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 135313775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).