[1-(azepan-1-ylmethyl)cyclohexyl]methanol

C14H27NO — CID 62270892

IUPAC[1-(azepan-1-ylmethyl)cyclohexyl]methanol
SMILESOCC1(CN2CCCCCC2)CCCCC1
InChIInChI=1S/C14H27NO/c16-13-14(8-4-3-5-9-14)12-15-10-6-1-2-7-11-15/h16H,1-13H2
InChIKeyBNLPJDOBVSQOAQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.81
Rot. Bonds3

About [1-(azepan-1-ylmethyl)cyclohexyl]methanol

[1-(azepan-1-ylmethyl)cyclohexyl]methanol (PubChem CID 62270892) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(azepan-1-ylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(azepan-1-ylmethyl)cyclohexyl]methanol
PubChem CID62270892
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-(azepan-1-ylmethyl)cyclohexyl]methanol
SMILESOCC1(CN2CCCCCC2)CCCCC1
InChIInChI=1S/C14H27NO/c16-13-14(8-4-3-5-9-14)12-15-10-6-1-2-7-11-15/h16H,1-13H2
InChIKeyBNLPJDOBVSQOAQ-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(azepan-1-ylmethyl)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(azepan-1-ylmethyl)cyclohexyl]methanol?
The IUPAC name of [1-(azepan-1-ylmethyl)cyclohexyl]methanol (CID 62270892) is [1-(azepan-1-ylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(azepan-1-ylmethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(azepan-1-ylmethyl)cyclohexyl]methanol is OCC1(CN2CCCCCC2)CCCCC1.
What is the InChIKey of [1-(azepan-1-ylmethyl)cyclohexyl]methanol?
The InChIKey is BNLPJDOBVSQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c16-13-14(8-4-3-5-9-14)12-15-10-6-1-2-7-11-15/h16H,1-13H2.
What are the key properties of [1-(azepan-1-ylmethyl)cyclohexyl]methanol?
[1-(azepan-1-ylmethyl)cyclohexyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azepan-1-ylmethyl)cyclohexyl]methanol is sourced from PubChem (CID 62270892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).