3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol

C16H22N2O — CID 106123504

IUPAC3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C16H22N2O/c19-15-3-1-2-12(9-15)10-17-11-13-4-5-16-14(8-13)6-7-18-16/h4-8,12,15,17-19H,1-3,9-11H2
InChIKeyUIUBMCHJUOCLJU-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.81
Rot. Bonds4

About 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol

3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 106123504) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID106123504
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C16H22N2O/c19-15-3-1-2-12(9-15)10-17-11-13-4-5-16-14(8-13)6-7-18-16/h4-8,12,15,17-19H,1-3,9-11H2
InChIKeyUIUBMCHJUOCLJU-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
N-(1H-indol-6-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411513
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 102910344
N-(1H-indol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 102911394
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[[(4-bromo-3-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699895
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915

Frequently Asked Questions

What is the IUPAC name of 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol (CID 106123504) is 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is UIUBMCHJUOCLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-15-3-1-2-12(9-15)10-17-11-13-4-5-16-14(8-13)6-7-18-16/h4-8,12,15,17-19H,1-3,9-11H2.
What are the key properties of 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol?
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106123504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).