3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one

C15H25NO — CID 2856644

IUPAC3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NC2CCCCCC2)C1
InChIInChI=1S/C15H25NO/c1-15(2)10-13(9-14(17)11-15)16-12-7-5-3-4-6-8-12/h9,12,16H,3-8,10-11H2,1-2H3
InChIKeyBPWWVPCPODEZSH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.57
Rot. Bonds2

About 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one

3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 2856644) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one
PubChem CID2856644
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NC2CCCCCC2)C1
InChIInChI=1S/C15H25NO/c1-15(2)10-13(9-14(17)11-15)16-12-7-5-3-4-6-8-12/h9,12,16H,3-8,10-11H2,1-2H3
InChIKeyBPWWVPCPODEZSH-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-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 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one (CID 2856644) is 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NC2CCCCCC2)C1.
What is the InChIKey of 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is BPWWVPCPODEZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2)10-13(9-14(17)11-15)16-12-7-5-3-4-6-8-12/h9,12,16H,3-8,10-11H2,1-2H3.
What are the key properties of 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one?
3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 2856644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).