8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one

C16H27NO — CID 62740147

IUPAC8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCCCC1CCC(N2C3CCC2CC(=O)C3)CC1
InChIInChI=1S/C16H27NO/c1-2-3-12-4-6-13(7-5-12)17-14-8-9-15(17)11-16(18)10-14/h12-15H,2-11H2,1H3
InChIKeyURLIJFCVBCYVSN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.54
Rot. Bonds3

About 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one

8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62740147) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62740147
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCCCC1CCC(N2C3CCC2CC(=O)C3)CC1
InChIInChI=1S/C16H27NO/c1-2-3-12-4-6-13(7-5-12)17-14-8-9-15(17)11-16(18)10-14/h12-15H,2-11H2,1H3
InChIKeyURLIJFCVBCYVSN-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one 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

9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105943
8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740847
8-(1-methylpyrrolidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740867
4-(4-propylcyclohexyl)piperazine-2,6-dione
CID 55235193
4-(4-propylcyclohexyl)morpholine-2,6-dione
CID 63789954
(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
CID 144657404
1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
CID 138493592
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid
CID 62303078
1-(4-propylcyclohexyl)-1,3-diazinan-2-one
CID 115371043
ethane;propane;propylcyclopropane
CID 145406182
2,5-dipropyl-3-(4-propylcyclohexyl)imidazolidin-4-one
CID 83252923

Frequently Asked Questions

What is the IUPAC name of 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one (CID 62740147) is 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one is CCCC1CCC(N2C3CCC2CC(=O)C3)CC1.
What is the InChIKey of 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is URLIJFCVBCYVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-12-4-6-13(7-5-12)17-14-8-9-15(17)11-16(18)10-14/h12-15H,2-11H2,1H3.
What are the key properties of 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 249.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62740147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).