[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol

C17H24N2O — CID 103925415

IUPAC[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2cccc3cc[nH]c23)CC1
InChIInChI=1S/C17H24N2O/c1-13-5-8-17(12-20,9-6-13)19-11-15-4-2-3-14-7-10-18-16(14)15/h2-4,7,10,13,18-20H,5-6,8-9,11-12H2,1H3
InChIKeyWKBQXNKGXDBTGP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.20
Rot. Bonds4

About [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol

[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol (PubChem CID 103925415) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol
PubChem CID103925415
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2cccc3cc[nH]c23)CC1
InChIInChI=1S/C17H24N2O/c1-13-5-8-17(12-20,9-6-13)19-11-15-4-2-3-14-7-10-18-16(14)15/h2-4,7,10,13,18-20H,5-6,8-9,11-12H2,1H3
InChIKeyWKBQXNKGXDBTGP-UHFFFAOYSA-N
XLogP3.20
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1H-indol-7-ylmethylamino)cyclobutyl]methanol
CID 113263647
[1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol
CID 62553319
N-(1H-indol-7-ylmethyl)-2-methylcyclopropan-1-amine;hydrochloride
CID 115614559
[1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol
CID 115924504
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272
[4-methyl-1-[(2-methyl-3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62552844
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol (CID 103925415) is [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCc2cccc3cc[nH]c23)CC1.
What is the InChIKey of [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol?
The InChIKey is WKBQXNKGXDBTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-5-8-17(12-20,9-6-13)19-11-15-4-2-3-14-7-10-18-16(14)15/h2-4,7,10,13,18-20H,5-6,8-9,11-12H2,1H3.
What are the key properties of [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol?
[1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol has a molecular weight of 272.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-7-ylmethylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 103925415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).