1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol

C17H24N2O — CID 102911193

IUPAC1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C17H24N2O/c1-13-3-2-7-17(20,10-13)12-18-11-14-4-5-15-6-8-19-16(15)9-14/h4-6,8-9,13,18-20H,2-3,7,10-12H2,1H3
InChIKeyQPHQAOLXLOSVIT-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.20
Rot. Bonds4

About 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol

1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 102911193) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID102911193
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C17H24N2O/c1-13-3-2-7-17(20,10-13)12-18-11-14-4-5-15-6-8-19-16(15)9-14/h4-6,8-9,13,18-20H,2-3,7,10-12H2,1H3
InChIKeyQPHQAOLXLOSVIT-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

Analyze 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol
CID 102911180
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411513
N'-hydroxy-3-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 77056880
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761
N-(1H-indol-6-ylmethyl)-2-(4-methylcyclohexyl)ethanamine
CID 102911023

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol (CID 102911193) is 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is QPHQAOLXLOSVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-3-2-7-17(20,10-13)12-18-11-14-4-5-15-6-8-19-16(15)9-14/h4-6,8-9,13,18-20H,2-3,7,10-12H2,1H3.
What are the key properties of 1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol 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-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 102911193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).