2-(dimethylamino)-4-methylpentan-3-one

C8H17NO — CID 22983306

IUPAC2-(dimethylamino)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N(C)C
InChIInChI=1S/C8H17NO/c1-6(2)8(10)7(3)9(4)5/h6-7H,1-5H3
InChIKeyWDFWOINOSNGOJF-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds3

About 2-(dimethylamino)-4-methylpentan-3-one

2-(dimethylamino)-4-methylpentan-3-one (PubChem CID 22983306) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-methylpentan-3-one
PubChem CID22983306
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(dimethylamino)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N(C)C
InChIInChI=1S/C8H17NO/c1-6(2)8(10)7(3)9(4)5/h6-7H,1-5H3
InChIKeyWDFWOINOSNGOJF-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
4-methyl-2-[methyl(propan-2-yl)amino]-1-sulfanylpentan-3-one
CID 159039926
2-(dimethylamino)propanoyl fluoride;hydrofluoride
CID 19898075
2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride
CID 174787599
2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
acetic acid;2,4-dimethylpentan-3-one
CID 87250045
4-(dimethylamino)-2-methylhept-6-en-3-one
CID 10821021
(1R)-1-(2-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one
CID 59470867
(2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one
CID 162112178
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
CID 77400027
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methylpentan-3-one?
The IUPAC name of 2-(dimethylamino)-4-methylpentan-3-one (CID 22983306) is 2-(dimethylamino)-4-methylpentan-3-one.
What is the SMILES notation for 2-(dimethylamino)-4-methylpentan-3-one?
The canonical SMILES for 2-(dimethylamino)-4-methylpentan-3-one is CC(C)C(=O)C(C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-4-methylpentan-3-one?
The InChIKey is WDFWOINOSNGOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)8(10)7(3)9(4)5/h6-7H,1-5H3.
What are the key properties of 2-(dimethylamino)-4-methylpentan-3-one?
2-(dimethylamino)-4-methylpentan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methylpentan-3-one is sourced from PubChem (CID 22983306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).