2-(1-aminocyclohexyl)cyclohexan-1-one

C12H21NO — CID 2771860

IUPAC2-(1-aminocyclohexyl)cyclohexan-1-one
SMILESNC1(C2CCCCC2=O)CCCCC1
InChIInChI=1S/C12H21NO/c13-12(8-4-1-5-9-12)10-6-2-3-7-11(10)14/h10H,1-9,13H2
InChIKeyBIZJPDCHNWABJF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.41
Rot. Bonds1

About 2-(1-aminocyclohexyl)cyclohexan-1-one

2-(1-aminocyclohexyl)cyclohexan-1-one (PubChem CID 2771860) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)cyclohexan-1-one
PubChem CID2771860
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(1-aminocyclohexyl)cyclohexan-1-one
SMILESNC1(C2CCCCC2=O)CCCCC1
InChIInChI=1S/C12H21NO/c13-12(8-4-1-5-9-12)10-6-2-3-7-11(10)14/h10H,1-9,13H2
InChIKeyBIZJPDCHNWABJF-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminocyclohexyl)cyclohexan-1-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 2-(1-aminocyclohexyl)cyclohexan-1-one?
The IUPAC name of 2-(1-aminocyclohexyl)cyclohexan-1-one (CID 2771860) is 2-(1-aminocyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-aminocyclohexyl)cyclohexan-1-one?
The canonical SMILES for 2-(1-aminocyclohexyl)cyclohexan-1-one is NC1(C2CCCCC2=O)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)cyclohexan-1-one?
The InChIKey is BIZJPDCHNWABJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-12(8-4-1-5-9-12)10-6-2-3-7-11(10)14/h10H,1-9,13H2.
What are the key properties of 2-(1-aminocyclohexyl)cyclohexan-1-one?
2-(1-aminocyclohexyl)cyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 2771860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).