8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one

C14H23NO — CID 62740152

IUPAC8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1(N2C3CCC2CC(=O)C3)CCCCC1
InChIInChI=1S/C14H23NO/c1-14(7-3-2-4-8-14)15-11-5-6-12(15)10-13(16)9-11/h11-12H,2-10H2,1H3
InChIKeyMIYSSWOPAHJFJL-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.91
Rot. Bonds1

About 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one

8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62740152) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62740152
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1(N2C3CCC2CC(=O)C3)CCCCC1
InChIInChI=1S/C14H23NO/c1-14(7-3-2-4-8-14)15-11-5-6-12(15)10-13(16)9-11/h11-12H,2-10H2,1H3
InChIKeyMIYSSWOPAHJFJL-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(1-methylcyclohexyl)-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

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one (CID 62740152) is 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one is CC1(N2C3CCC2CC(=O)C3)CCCCC1.
What is the InChIKey of 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is MIYSSWOPAHJFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(7-3-2-4-8-14)15-11-5-6-12(15)10-13(16)9-11/h11-12H,2-10H2,1H3.
What are the key properties of 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 221.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62740152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).