4-[ethyl(methyl)amino]butan-2-one

C7H15NO — CID 23568947

IUPAC4-[ethyl(methyl)amino]butan-2-one
SMILESCCN(C)CCC(C)=O
InChIInChI=1S/C7H15NO/c1-4-8(3)6-5-7(2)9/h4-6H2,1-3H3
InChIKeyHQEUFSQZBOTYEP-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.92
Rot. Bonds4

About 4-[ethyl(methyl)amino]butan-2-one

4-[ethyl(methyl)amino]butan-2-one (PubChem CID 23568947) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]butan-2-one.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]butan-2-one
PubChem CID23568947
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-[ethyl(methyl)amino]butan-2-one
SMILESCCN(C)CCC(C)=O
InChIInChI=1S/C7H15NO/c1-4-8(3)6-5-7(2)9/h4-6H2,1-3H3
InChIKeyHQEUFSQZBOTYEP-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.92
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
4-(Dimethylamino)butan-2-one
CID 546913
N,N,N-Trimethyl-3-oxobutan-1-aminium iodide
CID 35720
1-Methyl-4-piperidone
CID 74049
1-Ethylpiperidin-4-one
CID 77159
3-Pyrrolidone, 1-methyl-
CID 144283
4-(Dimethylamino)butan-2-one hydrochloride
CID 12239882
1,1-Dimethyl-4-oxopiperidinium iodide
CID 422966
4-(Methyl(propan-2-yl)amino)butan-2-one
CID 28948804
1-(Diethylamino)pentan-3-one
CID 256076
Trimethyl(3-oxobutyl)azanium
CID 35721

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]butan-2-one?
The IUPAC name of 4-[ethyl(methyl)amino]butan-2-one (CID 23568947) is 4-[ethyl(methyl)amino]butan-2-one.
What is the SMILES notation for 4-[ethyl(methyl)amino]butan-2-one?
The canonical SMILES for 4-[ethyl(methyl)amino]butan-2-one is CCN(C)CCC(C)=O.
What is the InChIKey of 4-[ethyl(methyl)amino]butan-2-one?
The InChIKey is HQEUFSQZBOTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-8(3)6-5-7(2)9/h4-6H2,1-3H3.
What are the key properties of 4-[ethyl(methyl)amino]butan-2-one?
4-[ethyl(methyl)amino]butan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]butan-2-one is sourced from PubChem (CID 23568947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).