4-[methyl(propan-2-yl)amino]butan-2-one

C8H17NO — CID 28948804

IUPAC4-[methyl(propan-2-yl)amino]butan-2-one
SMILESCC(=O)CCN(C)C(C)C
InChIInChI=1S/C8H17NO/c1-7(2)9(4)6-5-8(3)10/h7H,5-6H2,1-4H3
InChIKeyJRSKFKZAKLAAMS-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.31
Rot. Bonds4

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

4-[methyl(propan-2-yl)amino]butan-2-one (PubChem CID 28948804) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]butan-2-one
PubChem CID28948804
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-[methyl(propan-2-yl)amino]butan-2-one
SMILESCC(=O)CCN(C)C(C)C
InChIInChI=1S/C8H17NO/c1-7(2)9(4)6-5-8(3)10/h7H,5-6H2,1-4H3
InChIKeyJRSKFKZAKLAAMS-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butanone, 4-diethylamino-
CID 18694
N,N,N-Trimethyl-3-oxobutan-1-aminium iodide
CID 35720
1-(Diethylamino)pentan-3-one
CID 256076
Trimethyl(3-oxobutyl)azanium
CID 35721
(3-Oxobutyl)trimethylammonium bromide
CID 126960673
N-(3-Oxobutyl)-2-methylazetidine
CID 558518
1-Butanaminium, N,N-diethyl-N-methyl-3-oxo-, iodide
CID 10869853
4-(Diethylamino) butan-2-one hydrochloride
CID 12425723
N,N-diethylamino-2-methylbutan-3-one
CID 12616301
1-Sec-butyl-piperidin-4-one
CID 13182807
4-Diethylamino-2-butanone methiodide
CID 21539435
1-(Pentan-2-yl)piperidin-4-one
CID 24698621

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]butan-2-one?
The IUPAC name of 4-[methyl(propan-2-yl)amino]butan-2-one (CID 28948804) is 4-[methyl(propan-2-yl)amino]butan-2-one.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]butan-2-one?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]butan-2-one is CC(=O)CCN(C)C(C)C.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]butan-2-one?
The InChIKey is JRSKFKZAKLAAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)9(4)6-5-8(3)10/h7H,5-6H2,1-4H3.
What are the key properties of 4-[methyl(propan-2-yl)amino]butan-2-one?
4-[methyl(propan-2-yl)amino]butan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]butan-2-one is sourced from PubChem (CID 28948804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).