4-[methyl(propyl)amino]cyclohexan-1-one

C10H19NO — CID 79120665

IUPAC4-[methyl(propyl)amino]cyclohexan-1-one
SMILESCCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO/c1-3-8-11(2)9-4-6-10(12)7-5-9/h9H,3-8H2,1-2H3
InChIKeyXOJQBYVYNOLIPK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds3

About 4-[methyl(propyl)amino]cyclohexan-1-one

4-[methyl(propyl)amino]cyclohexan-1-one (PubChem CID 79120665) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-[methyl(propyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl(propyl)amino]cyclohexan-1-one
PubChem CID79120665
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-[methyl(propyl)amino]cyclohexan-1-one
SMILESCCCN(C)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO/c1-3-8-11(2)9-4-6-10(12)7-5-9/h9H,3-8H2,1-2H3
InChIKeyXOJQBYVYNOLIPK-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[methyl(propyl)amino]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 4-[methyl(propyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl(propyl)amino]cyclohexan-1-one (CID 79120665) is 4-[methyl(propyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl(propyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl(propyl)amino]cyclohexan-1-one is CCCN(C)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl(propyl)amino]cyclohexan-1-one?
The InChIKey is XOJQBYVYNOLIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8-11(2)9-4-6-10(12)7-5-9/h9H,3-8H2,1-2H3.
What are the key properties of 4-[methyl(propyl)amino]cyclohexan-1-one?
4-[methyl(propyl)amino]cyclohexan-1-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79120665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).