4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one

C10H19NO2 — CID 79120512

IUPAC4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
SMILESCN(CCCO)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO2/c1-11(7-2-8-12)9-3-5-10(13)6-4-9/h9,12H,2-8H2,1H3
InChIKeyOTWIOUAUHDYJMC-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.81
Rot. Bonds4

About 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one

4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one (PubChem CID 79120512) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
PubChem CID79120512
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one
SMILESCN(CCCO)C1CCC(=O)CC1
InChIInChI=1S/C10H19NO2/c1-11(7-2-8-12)9-3-5-10(13)6-4-9/h9,12H,2-8H2,1H3
InChIKeyOTWIOUAUHDYJMC-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-hydroxypropyl(methyl)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-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one (CID 79120512) is 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one is CN(CCCO)C1CCC(=O)CC1.
What is the InChIKey of 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one?
The InChIKey is OTWIOUAUHDYJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(7-2-8-12)9-3-5-10(13)6-4-9/h9,12H,2-8H2,1H3.
What are the key properties of 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one?
4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxypropyl(methyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79120512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).