4-(diethylamino)-3-methylbutan-2-one

C9H19NO — CID 12616301

IUPAC4-(diethylamino)-3-methylbutan-2-one
SMILESCCN(CC)CC(C)C(C)=O
InChIInChI=1S/C9H19NO/c1-5-10(6-2)7-8(3)9(4)11/h8H,5-7H2,1-4H3
InChIKeyRBEFHKUWHAQSMB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds5

About 4-(diethylamino)-3-methylbutan-2-one

4-(diethylamino)-3-methylbutan-2-one (PubChem CID 12616301) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(diethylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name4-(diethylamino)-3-methylbutan-2-one
PubChem CID12616301
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(diethylamino)-3-methylbutan-2-one
SMILESCCN(CC)CC(C)C(C)=O
InChIInChI=1S/C9H19NO/c1-5-10(6-2)7-8(3)9(4)11/h8H,5-7H2,1-4H3
InChIKeyRBEFHKUWHAQSMB-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
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
1-(Dimethylamino)-2-methylpentan-3-one--hydrogen chloride (1/1)
CID 3048728
1-(Dimethylamino)-2-methyl-3-pentanone
CID 3048729
4-(Methyl(propan-2-yl)amino)butan-2-one
CID 28948804
1-(Diethylamino)pentan-3-one
CID 256076
Trimethyl(3-oxobutyl)azanium
CID 35721
4-(Dimethylamino)-3,3-dimethylbutan-2-one hydrochloride
CID 54595168
1-Butanaminium, N,N-diethyl-N-methyl-3-oxo-, iodide
CID 10869853
4-(Diethylamino) butan-2-one hydrochloride
CID 12425723
4-Diethylamino-2-butanone methiodide
CID 21539435
Triethyl(3-oxobutyl)azanium
CID 90094610

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3-methylbutan-2-one?
The IUPAC name of 4-(diethylamino)-3-methylbutan-2-one (CID 12616301) is 4-(diethylamino)-3-methylbutan-2-one.
What is the SMILES notation for 4-(diethylamino)-3-methylbutan-2-one?
The canonical SMILES for 4-(diethylamino)-3-methylbutan-2-one is CCN(CC)CC(C)C(C)=O.
What is the InChIKey of 4-(diethylamino)-3-methylbutan-2-one?
The InChIKey is RBEFHKUWHAQSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-10(6-2)7-8(3)9(4)11/h8H,5-7H2,1-4H3.
What are the key properties of 4-(diethylamino)-3-methylbutan-2-one?
4-(diethylamino)-3-methylbutan-2-one has a molecular weight of 157.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3-methylbutan-2-one is sourced from PubChem (CID 12616301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).