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

C16H22N2O — CID 102911180

IUPAC1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc3cc[nH]c3c2)CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(7-2-1-3-8-16)12-17-11-13-4-5-14-6-9-18-15(14)10-13/h4-6,9-10,17-19H,1-3,7-8,11-12H2
InChIKeyLSAUZQHSYBZDQV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.95
Rot. Bonds4

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

1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 102911180) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID102911180
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCc2ccc3cc[nH]c3c2)CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(7-2-1-3-8-16)12-17-11-13-4-5-14-6-9-18-15(14)10-13/h4-6,9-10,17-19H,1-3,7-8,11-12H2
InChIKeyLSAUZQHSYBZDQV-UHFFFAOYSA-N
XLogP2.95
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(2-methylquinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 105378527
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
N-(1H-indol-6-ylmethyl)but-2-yn-1-amine
CID 102911908
1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 107230629
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
1-(1H-indol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107229
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol (CID 102911180) is 1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol is OC1(CNCc2ccc3cc[nH]c3c2)CCCCC1.
What is the InChIKey of 1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is LSAUZQHSYBZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(7-2-1-3-8-16)12-17-11-13-4-5-14-6-9-18-15(14)10-13/h4-6,9-10,17-19H,1-3,7-8,11-12H2.
What are the key properties of 1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol?
1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.95, 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]cyclohexan-1-ol is sourced from PubChem (CID 102911180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).