2,4-dimethyl-1-(methylamino)heptan-3-one

C10H21NO — CID 107890170

IUPAC2,4-dimethyl-1-(methylamino)heptan-3-one
SMILESCCCC(C)C(=O)C(C)CNC
InChIInChI=1S/C10H21NO/c1-5-6-8(2)10(12)9(3)7-11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyVHVCLNJPGIVEQC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.85
Rot. Bonds6

About 2,4-dimethyl-1-(methylamino)heptan-3-one

2,4-dimethyl-1-(methylamino)heptan-3-one (PubChem CID 107890170) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,4-dimethyl-1-(methylamino)heptan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-1-(methylamino)heptan-3-one
PubChem CID107890170
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,4-dimethyl-1-(methylamino)heptan-3-one
SMILESCCCC(C)C(=O)C(C)CNC
InChIInChI=1S/C10H21NO/c1-5-6-8(2)10(12)9(3)7-11-4/h8-9,11H,5-7H2,1-4H3
InChIKeyVHVCLNJPGIVEQC-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dimethyl-1-(methylamino)heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-4,6-dimethylnonan-5-one
CID 177467625
(4R)-2,4-dimethylheptan-3-one
CID 6999069
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
magnesium bis(2-methylpentanoate)
CID 140813982
lithium 2-methylpentanoate
CID 122554466
4,6,8,10-tetramethyltridecan-7-one
CID 150096425
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
(2R)-2-(methylamino)pentanoic acid
CID 15677248
1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)heptan-3-one
CID 107891338
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
CID 159174397
CID 159174397
(4R)-4-methylheptan-3-one
CID 12696684

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(methylamino)heptan-3-one?
The IUPAC name of 2,4-dimethyl-1-(methylamino)heptan-3-one (CID 107890170) is 2,4-dimethyl-1-(methylamino)heptan-3-one.
What is the SMILES notation for 2,4-dimethyl-1-(methylamino)heptan-3-one?
The canonical SMILES for 2,4-dimethyl-1-(methylamino)heptan-3-one is CCCC(C)C(=O)C(C)CNC.
What is the InChIKey of 2,4-dimethyl-1-(methylamino)heptan-3-one?
The InChIKey is VHVCLNJPGIVEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-8(2)10(12)9(3)7-11-4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(methylamino)heptan-3-one?
2,4-dimethyl-1-(methylamino)heptan-3-one has a molecular weight of 171.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(methylamino)heptan-3-one is sourced from PubChem (CID 107890170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).