4-methyl-4-(methylamino)pentan-2-one

C7H15NO — CID 24973915

IUPAC4-methyl-4-(methylamino)pentan-2-one
SMILESCNC(C)(C)CC(C)=O
InChIInChI=1S/C7H15NO/c1-6(9)5-7(2,3)8-4/h8H,5H2,1-4H3
InChIKeyWYMGVBJKEPKVNH-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.96
Rot. Bonds3

About 4-methyl-4-(methylamino)pentan-2-one

4-methyl-4-(methylamino)pentan-2-one (PubChem CID 24973915) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methyl-4-(methylamino)pentan-2-one.

Molecular Properties

Compound Name4-methyl-4-(methylamino)pentan-2-one
PubChem CID24973915
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methyl-4-(methylamino)pentan-2-one
SMILESCNC(C)(C)CC(C)=O
InChIInChI=1S/C7H15NO/c1-6(9)5-7(2,3)8-4/h8H,5H2,1-4H3
InChIKeyWYMGVBJKEPKVNH-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-4-(methylamino)pentan-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 4-methyl-4-(methylamino)pentan-2-one?
The IUPAC name of 4-methyl-4-(methylamino)pentan-2-one (CID 24973915) is 4-methyl-4-(methylamino)pentan-2-one.
What is the SMILES notation for 4-methyl-4-(methylamino)pentan-2-one?
The canonical SMILES for 4-methyl-4-(methylamino)pentan-2-one is CNC(C)(C)CC(C)=O.
What is the InChIKey of 4-methyl-4-(methylamino)pentan-2-one?
The InChIKey is WYMGVBJKEPKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(9)5-7(2,3)8-4/h8H,5H2,1-4H3.
What are the key properties of 4-methyl-4-(methylamino)pentan-2-one?
4-methyl-4-(methylamino)pentan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(methylamino)pentan-2-one is sourced from PubChem (CID 24973915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).