2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol

C14H27NO2 — CID 116638244

IUPAC2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol
SMILESOCC1CCCCCN1CC1CCCCC1O
InChIInChI=1S/C14H27NO2/c16-11-13-7-2-1-5-9-15(13)10-12-6-3-4-8-14(12)17/h12-14,16-17H,1-11H2
InChIKeyNNVURYUWXLFELN-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.77
Rot. Bonds3

About 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol

2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol (PubChem CID 116638244) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol
PubChem CID116638244
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol
SMILESOCC1CCCCCN1CC1CCCCC1O
InChIInChI=1S/C14H27NO2/c16-11-13-7-2-1-5-9-15(13)10-12-6-3-4-8-14(12)17/h12-14,16-17H,1-11H2
InChIKeyNNVURYUWXLFELN-UHFFFAOYSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(hydroxymethyl)azepan-1-yl]methyl]-4,4-dimethylcyclohexan-1-ol
CID 116638238
[1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperidin-2-yl]methanol;dihydrochloride
CID 52994083
[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
CID 116638196
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
(1-ethylazepan-2-yl)methanol
CID 2849413
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[1-[(2-amino-5-methylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 62609486
(1-prop-2-ynylazepan-2-yl)methanol
CID 116637134
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
1-cyclopropyl-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635350
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol (CID 116638244) is 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol is OCC1CCCCCN1CC1CCCCC1O.
What is the InChIKey of 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is NNVURYUWXLFELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c16-11-13-7-2-1-5-9-15(13)10-12-6-3-4-8-14(12)17/h12-14,16-17H,1-11H2.
What are the key properties of 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol?
2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 116638244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).