methane;4-methyl-3-(methylamino)pentan-2-one

C9H23NO — CID 158029280

IUPACmethane;4-methyl-3-(methylamino)pentan-2-one
SMILESC.C.CNC(C(C)=O)C(C)C
InChIInChI=1S/C7H15NO.2CH4/c1-5(2)7(8-4)6(3)9;;/h5,7-8H,1-4H3;2*1H4
InChIKeyFGZHNECLCJOKDD-UHFFFAOYSA-N
MW161.29 g/mol
LogP2.09
Rot. Bonds3

About methane;4-methyl-3-(methylamino)pentan-2-one

methane;4-methyl-3-(methylamino)pentan-2-one (PubChem CID 158029280) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is methane;4-methyl-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Namemethane;4-methyl-3-(methylamino)pentan-2-one
PubChem CID158029280
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Namemethane;4-methyl-3-(methylamino)pentan-2-one
SMILESC.C.CNC(C(C)=O)C(C)C
InChIInChI=1S/C7H15NO.2CH4/c1-5(2)7(8-4)6(3)9;;/h5,7-8H,1-4H3;2*1H4
InChIKeyFGZHNECLCJOKDD-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methane;4-methyl-3-(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 methane;4-methyl-3-(methylamino)pentan-2-one?
The IUPAC name of methane;4-methyl-3-(methylamino)pentan-2-one (CID 158029280) is methane;4-methyl-3-(methylamino)pentan-2-one.
What is the SMILES notation for methane;4-methyl-3-(methylamino)pentan-2-one?
The canonical SMILES for methane;4-methyl-3-(methylamino)pentan-2-one is C.C.CNC(C(C)=O)C(C)C.
What is the InChIKey of methane;4-methyl-3-(methylamino)pentan-2-one?
The InChIKey is FGZHNECLCJOKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2CH4/c1-5(2)7(8-4)6(3)9;;/h5,7-8H,1-4H3;2*1H4.
What are the key properties of methane;4-methyl-3-(methylamino)pentan-2-one?
methane;4-methyl-3-(methylamino)pentan-2-one has a molecular weight of 161.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-3-(methylamino)pentan-2-one is sourced from PubChem (CID 158029280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).