2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol

C12H24N2O — CID 103982373

IUPAC2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1CCCNCC1
InChIInChI=1S/C12H24N2O/c15-12-5-1-3-10(12)9-14-11-4-2-7-13-8-6-11/h10-15H,1-9H2
InChIKeyFVWKHVCCRHDONE-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.88
Rot. Bonds3

About 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol

2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol (PubChem CID 103982373) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
PubChem CID103982373
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1CCCNCC1
InChIInChI=1S/C12H24N2O/c15-12-5-1-3-10(12)9-14-11-4-2-7-13-8-6-11/h10-15H,1-9H2
InChIKeyFVWKHVCCRHDONE-UHFFFAOYSA-N
XLogP0.88
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(azepan-4-ylamino)methyl]cyclopentan-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

trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
CID 130951867
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753604
2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929988
N-[2-(azepan-4-ylamino)ethyl]acetamide
CID 103980758
2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928655
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
CID 124834672
2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892
2-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 80705865
1-(azepan-4-ylamino)propan-2-ol
CID 103980928

Frequently Asked Questions

What is the IUPAC name of 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol (CID 103982373) is 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol is OC1CCCC1CNC1CCCNCC1.
What is the InChIKey of 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is FVWKHVCCRHDONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c15-12-5-1-3-10(12)9-14-11-4-2-7-13-8-6-11/h10-15H,1-9H2.
What are the key properties of 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol?
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 103982373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).