4-(dimethylamino)butan-2-one

C6H13NO — CID 546913

IUPAC4-(dimethylamino)butan-2-one
SMILESCC(=O)CCN(C)C
InChIInChI=1S/C6H13NO/c1-6(8)4-5-7(2)3/h4-5H2,1-3H3
InChIKeyWQVAMFRPCWXWSS-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.53
Rot. Bonds3

About 4-(dimethylamino)butan-2-one

4-(dimethylamino)butan-2-one (PubChem CID 546913) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-(dimethylamino)butan-2-one.

Molecular Properties

Compound Name4-(dimethylamino)butan-2-one
PubChem CID546913
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-(dimethylamino)butan-2-one
SMILESCC(=O)CCN(C)C
InChIInChI=1S/C6H13NO/c1-6(8)4-5-7(2)3/h4-5H2,1-3H3
InChIKeyWQVAMFRPCWXWSS-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butanone, 4-diethylamino-
CID 18694
4-Dimethylamino-3-methyl-2-butanone
CID 90732
N,N,N-Trimethyl-3-oxobutan-1-aminium iodide
CID 35720
4-(Dimethylamino)butan-2-one hydrochloride
CID 12239882
Trimethyl(3-oxobutyl)azanium
CID 35721
(3-Oxobutyl)trimethylammonium bromide
CID 126960673
1-Butanaminium, N,N-diethyl-N-methyl-3-oxo-, iodide
CID 10869853
4-(Diethylamino) butan-2-one hydrochloride
CID 12425723
1-Dimethylamino-butan-2-one
CID 13861527
Triethyl(3-oxobutyl)azanium
CID 90094610
Trimethyl(3-oxopentyl)azanium
CID 32906
4-(Dimethylamino)-3,3-difluorobutan-2-one
CID 20671608

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butan-2-one?
The IUPAC name of 4-(dimethylamino)butan-2-one (CID 546913) is 4-(dimethylamino)butan-2-one.
What is the SMILES notation for 4-(dimethylamino)butan-2-one?
The canonical SMILES for 4-(dimethylamino)butan-2-one is CC(=O)CCN(C)C.
What is the InChIKey of 4-(dimethylamino)butan-2-one?
The InChIKey is WQVAMFRPCWXWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(8)4-5-7(2)3/h4-5H2,1-3H3.
What are the key properties of 4-(dimethylamino)butan-2-one?
4-(dimethylamino)butan-2-one has a molecular weight of 115.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butan-2-one is sourced from PubChem (CID 546913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).