3-(2-methylprop-2-enylamino)hexan-2-one

C10H19NO — CID 91513290

IUPAC3-(2-methylprop-2-enylamino)hexan-2-one
SMILESC=C(C)CNC(CCC)C(C)=O
InChIInChI=1S/C10H19NO/c1-5-6-10(9(4)12)11-7-8(2)3/h10-11H,2,5-7H2,1,3-4H3
InChIKeyXQNWDSLXSYYCRD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.91
Rot. Bonds6

About 3-(2-methylprop-2-enylamino)hexan-2-one

3-(2-methylprop-2-enylamino)hexan-2-one (PubChem CID 91513290) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-methylprop-2-enylamino)hexan-2-one.

Molecular Properties

Compound Name3-(2-methylprop-2-enylamino)hexan-2-one
PubChem CID91513290
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(2-methylprop-2-enylamino)hexan-2-one
SMILESC=C(C)CNC(CCC)C(C)=O
InChIInChI=1S/C10H19NO/c1-5-6-10(9(4)12)11-7-8(2)3/h10-11H,2,5-7H2,1,3-4H3
InChIKeyXQNWDSLXSYYCRD-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-methylprop-2-enylamino)hexan-2-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-(2-methylprop-2-enylamino)hexan-2-one?
The IUPAC name of 3-(2-methylprop-2-enylamino)hexan-2-one (CID 91513290) is 3-(2-methylprop-2-enylamino)hexan-2-one.
What is the SMILES notation for 3-(2-methylprop-2-enylamino)hexan-2-one?
The canonical SMILES for 3-(2-methylprop-2-enylamino)hexan-2-one is C=C(C)CNC(CCC)C(C)=O.
What is the InChIKey of 3-(2-methylprop-2-enylamino)hexan-2-one?
The InChIKey is XQNWDSLXSYYCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-10(9(4)12)11-7-8(2)3/h10-11H,2,5-7H2,1,3-4H3.
What are the key properties of 3-(2-methylprop-2-enylamino)hexan-2-one?
3-(2-methylprop-2-enylamino)hexan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enylamino)hexan-2-one is sourced from PubChem (CID 91513290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).