5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine

C23H32N4 — CID 67817161

IUPAC5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
SMILESNCCCC(C[C@@H]1Cc2ccccc2CN1)N[C@H]1CCCc2cccnc21
InChIInChI=1S/C23H32N4/c24-12-4-10-20(15-21-14-18-6-1-2-7-19(18)16-26-21)27-22-11-3-8-17-9-5-13-25-23(17)22/h1-2,5-7,9,13,20-22,26-27H,3-4,8,10-12,14-16,24H2/t20?,21-,22-/m0/s1
InChIKeyNTRJPOGNAABBCD-QIFDKBNDSA-N
MW364.54 g/mol
LogP3.26
Rot. Bonds7

About 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine

5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine (PubChem CID 67817161) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
PubChem CID67817161
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
SMILESNCCCC(C[C@@H]1Cc2ccccc2CN1)N[C@H]1CCCc2cccnc21
InChIInChI=1S/C23H32N4/c24-12-4-10-20(15-21-14-18-6-1-2-7-19(18)16-26-21)27-22-11-3-8-17-9-5-13-25-23(17)22/h1-2,5-7,9,13,20-22,26-27H,3-4,8,10-12,14-16,24H2/t20?,21-,22-/m0/s1
InChIKeyNTRJPOGNAABBCD-QIFDKBNDSA-N
XLogP3.26
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine
CID 67817507
5-(1H-benzimidazol-2-yl)-4-N-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)pentane-1,4-diamine
CID 69294563
5-(1-prop-2-enylimidazol-2-yl)-4-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,4-diamine
CID 67432068
N-(1-cyclopropylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078646
5-(1H-benzimidazol-2-yl)-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]hexane-1,4-diamine
CID 67434748
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
(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
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-octan-4-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 114138079
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[[3-(aminomethyl)phenyl]methyl]-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 135313775
(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

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine?
The IUPAC name of 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine (CID 67817161) is 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine.
What is the SMILES notation for 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine?
The canonical SMILES for 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine is NCCCC(C[C@@H]1Cc2ccccc2CN1)N[C@H]1CCCc2cccnc21.
What is the InChIKey of 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine?
The InChIKey is NTRJPOGNAABBCD-QIFDKBNDSA-N. The full InChI is InChI=1S/C23H32N4/c24-12-4-10-20(15-21-14-18-6-1-2-7-19(18)16-26-21)27-22-11-3-8-17-9-5-13-25-23(17)22/h1-2,5-7,9,13,20-22,26-27H,3-4,8,10-12,14-16,24H2/t20?,21-,22-/m0/s1.
What are the key properties of 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine?
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine has a molecular weight of 364.54 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pentane-1,4-diamine is sourced from PubChem (CID 67817161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).