4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one

C12H25NO — CID 164982465

IUPAC4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one
SMILESCC(C)CC(=O)CN(C)C(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)7-12(14)8-13(6)11(5)10(3)4/h9-11H,7-8H2,1-6H3
InChIKeyWMYLCMBNWHTCFD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one

4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one (PubChem CID 164982465) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one.

Molecular Properties

Compound Name4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one
PubChem CID164982465
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one
SMILESCC(C)CC(=O)CN(C)C(C)C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)7-12(14)8-13(6)11(5)10(3)4/h9-11H,7-8H2,1-6H3
InChIKeyWMYLCMBNWHTCFD-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]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-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one?
The IUPAC name of 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one (CID 164982465) is 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one.
What is the SMILES notation for 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one?
The canonical SMILES for 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one is CC(C)CC(=O)CN(C)C(C)C(C)C.
What is the InChIKey of 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one?
The InChIKey is WMYLCMBNWHTCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)7-12(14)8-13(6)11(5)10(3)4/h9-11H,7-8H2,1-6H3.
What are the key properties of 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one?
4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl(3-methylbutan-2-yl)amino]pentan-2-one is sourced from PubChem (CID 164982465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).