[1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol

C17H24N2O — CID 62553319

IUPAC[1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N2O/c1-13-6-8-17(12-20,9-7-13)19-11-14-10-18-16-5-3-2-4-15(14)16/h2-5,10,13,18-20H,6-9,11-12H2,1H3
InChIKeyJMEZNQFDMZTXEH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.20
Rot. Bonds4

About [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol

[1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol (PubChem CID 62553319) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol
PubChem CID62553319
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N2O/c1-13-6-8-17(12-20,9-7-13)19-11-14-10-18-16-5-3-2-4-15(14)16/h2-5,10,13,18-20H,6-9,11-12H2,1H3
InChIKeyJMEZNQFDMZTXEH-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-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 61221927
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
CID 175493504
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011
1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol
CID 63295277

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol (CID 62553319) is [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol?
The InChIKey is JMEZNQFDMZTXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-6-8-17(12-20,9-7-13)19-11-14-10-18-16-5-3-2-4-15(14)16/h2-5,10,13,18-20H,6-9,11-12H2,1H3.
What are the key properties of [1-(1H-indol-3-ylmethylamino)-4-methylcyclohexyl]methanol?
[1-(1H-indol-3-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-3-ylmethylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62553319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).