[3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol

C16H30N2O — CID 79633952

IUPAC[3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(N2CCCCCC2)C1
InChIInChI=1S/C16H30N2O/c19-13-16(17-14-7-8-14)9-5-6-15(12-16)18-10-3-1-2-4-11-18/h14-15,17,19H,1-13H2
InChIKeyKWHPYDORRJXZKZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.29
Rot. Bonds4

About [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol

[3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol (PubChem CID 79633952) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol
PubChem CID79633952
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol
SMILESOCC1(NC2CC2)CCCC(N2CCCCCC2)C1
InChIInChI=1S/C16H30N2O/c19-13-16(17-14-7-8-14)9-5-6-15(12-16)18-10-3-1-2-4-11-18/h14-15,17,19H,1-13H2
InChIKeyKWHPYDORRJXZKZ-UHFFFAOYSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(azepan-1-yl)-1-(cyclopropylamino)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

Related Compounds

[1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79634714
[1-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)cyclohexyl]methanol
CID 79634509
[1-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640171
[1-(propylamino)-3-pyrrolidin-1-ylcyclohexyl]methanol
CID 79634717
[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol
CID 102887311
[1-(cyclopropylamino)-3-propan-2-ylcyclohexyl]methanol
CID 107450341
[1-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)cyclopentyl]methanol
CID 79657108
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
[3-(8-azaspiro[4.5]decan-8-yl)-1-(methylamino)cyclohexyl]methanol
CID 79633930
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357
[1-(cyclopropylamino)-3-indazol-1-ylcyclohexyl]methanol
CID 79638463
[1-(cyclopropylamino)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanol
CID 79646242

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol?
The IUPAC name of [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol (CID 79633952) is [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol is OCC1(NC2CC2)CCCC(N2CCCCCC2)C1.
What is the InChIKey of [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol?
The InChIKey is KWHPYDORRJXZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c19-13-16(17-14-7-8-14)9-5-6-15(12-16)18-10-3-1-2-4-11-18/h14-15,17,19H,1-13H2.
What are the key properties of [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol?
[3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol has a molecular weight of 266.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-yl)-1-(cyclopropylamino)cyclohexyl]methanol is sourced from PubChem (CID 79633952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).