[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine

C27H32N2 — CID 175320635

IUPAC[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine
SMILESNCc1cc(-c2nccc3cc(C4CCCC4)ccc23)cc(C2CCCCC2)c1
InChIInChI=1S/C27H32N2/c28-18-19-14-24(21-6-2-1-3-7-21)17-25(15-19)27-26-11-10-22(20-8-4-5-9-20)16-23(26)12-13-29-27/h10-17,20-21H,1-9,18,28H2
InChIKeySNZIDDHAJQGSBP-UHFFFAOYSA-N
MW384.57 g/mol
LogP7.07
Rot. Bonds4

About [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine

[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine (PubChem CID 175320635) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine
PubChem CID175320635
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine
SMILESNCc1cc(-c2nccc3cc(C4CCCC4)ccc23)cc(C2CCCCC2)c1
InChIInChI=1S/C27H32N2/c28-18-19-14-24(21-6-2-1-3-7-21)17-25(15-19)27-26-11-10-22(20-8-4-5-9-20)16-23(26)12-13-29-27/h10-17,20-21H,1-9,18,28H2
InChIKeySNZIDDHAJQGSBP-UHFFFAOYSA-N
XLogP7.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclopentyl-1-(5,5,6,6,7,7,8,8-octafluoronaphthalen-2-yl)isoquinoline
CID 165383651
6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
CID 156621924
7-(4-cyclohexylphenyl)-1-phenylisoquinoline
CID 156674472
6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258297
6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258283
(4-cyclohexylphenyl)methanamine
CID 22246867
1-(5-cyclopentyl-1-benzofuran-7-yl)-6-methylisoquinoline
CID 167259555
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
CID 166913046
6-cyclopentyl-3-deuterio-1-(3-methyl-5-propan-2-ylphenyl)isoquinoline
CID 155639325
8-cyclohexyl-1-(3,5-dimethylphenyl)-4-methylbenzo[h]isoquinoline
CID 156512323
2,6-dicyclopentylnaphthalene
CID 91354429
6-cyclopentyl-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 166026548

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine?
The IUPAC name of [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine (CID 175320635) is [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine is NCc1cc(-c2nccc3cc(C4CCCC4)ccc23)cc(C2CCCCC2)c1.
What is the InChIKey of [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine?
The InChIKey is SNZIDDHAJQGSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2/c28-18-19-14-24(21-6-2-1-3-7-21)17-25(15-19)27-26-11-10-22(20-8-4-5-9-20)16-23(26)12-13-29-27/h10-17,20-21H,1-9,18,28H2.
What are the key properties of [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine?
[3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine has a molecular weight of 384.57 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-5-(6-cyclopentylisoquinolin-1-yl)phenyl]methanamine is sourced from PubChem (CID 175320635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).