1-(azepan-2-yl)-4-propylcycloheptan-1-ol

C16H31NO — CID 65090460

IUPAC1-(azepan-2-yl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(C2CCCCCN2)CC1
InChIInChI=1S/C16H31NO/c1-2-7-14-8-6-11-16(18,12-10-14)15-9-4-3-5-13-17-15/h14-15,17-18H,2-13H2,1H3
InChIKeyCRWWAHXPANNLNS-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.63
Rot. Bonds3

About 1-(azepan-2-yl)-4-propylcycloheptan-1-ol

1-(azepan-2-yl)-4-propylcycloheptan-1-ol (PubChem CID 65090460) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(azepan-2-yl)-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(azepan-2-yl)-4-propylcycloheptan-1-ol
PubChem CID65090460
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(azepan-2-yl)-4-propylcycloheptan-1-ol
SMILESCCCC1CCCC(O)(C2CCCCCN2)CC1
InChIInChI=1S/C16H31NO/c1-2-7-14-8-6-11-16(18,12-10-14)15-9-4-3-5-13-17-15/h14-15,17-18H,2-13H2,1H3
InChIKeyCRWWAHXPANNLNS-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-2-yl)-4-propylcycloheptan-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

1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol
CID 65095040
1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol
CID 65090860
4-(azepan-2-yl)azepan-4-ol
CID 103982887
2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
CID 83669929
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
propylcyclotetradecane
CID 90991550
3-amino-1-piperidin-2-ylcyclopentan-1-ol
CID 80562855
1-(2-ethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 63861268
1,1-dimethyl-4-propylcyclotridecane
CID 123608299
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
4-piperidin-2-yl-1-propan-2-ylazepan-4-ol
CID 65077274
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-4-propylcycloheptan-1-ol?
The IUPAC name of 1-(azepan-2-yl)-4-propylcycloheptan-1-ol (CID 65090460) is 1-(azepan-2-yl)-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-(azepan-2-yl)-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-(azepan-2-yl)-4-propylcycloheptan-1-ol is CCCC1CCCC(O)(C2CCCCCN2)CC1.
What is the InChIKey of 1-(azepan-2-yl)-4-propylcycloheptan-1-ol?
The InChIKey is CRWWAHXPANNLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-7-14-8-6-11-16(18,12-10-14)15-9-4-3-5-13-17-15/h14-15,17-18H,2-13H2,1H3.
What are the key properties of 1-(azepan-2-yl)-4-propylcycloheptan-1-ol?
1-(azepan-2-yl)-4-propylcycloheptan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65090460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).