(3S)-3-[methyl(propyl)amino]butan-2-one

C8H17NO — CID 93295226

IUPAC(3S)-3-[methyl(propyl)amino]butan-2-one
SMILESCCCN(C)[C@@H](C)C(C)=O
InChIInChI=1S/C8H17NO/c1-5-6-9(4)7(2)8(3)10/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyFLZQMVBUVHYGMP-ZETCQYMHSA-N
MW143.23 g/mol
LogP1.31
Rot. Bonds4

About (3S)-3-[methyl(propyl)amino]butan-2-one

(3S)-3-[methyl(propyl)amino]butan-2-one (PubChem CID 93295226) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-3-[methyl(propyl)amino]butan-2-one.

Molecular Properties

Compound Name(3S)-3-[methyl(propyl)amino]butan-2-one
PubChem CID93295226
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-3-[methyl(propyl)amino]butan-2-one
SMILESCCCN(C)[C@@H](C)C(C)=O
InChIInChI=1S/C8H17NO/c1-5-6-9(4)7(2)8(3)10/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyFLZQMVBUVHYGMP-ZETCQYMHSA-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

ethane;(3S)-3-[methyl(propyl)amino]butan-2-one
CID 166155780
ethane;3-[ethyl(methyl)amino]butan-2-one
CID 177194341
3-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057001
3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
CID 82329288
2-[butyl(methyl)amino]propanamide
CID 60644986
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
CID 159278816
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-[methyl(propyl)amino]butanamide
CID 62900463
1-[methyl(propyl)amino]propan-1-ol
CID 118973060
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
(2R)-2-hydroxy-N-methyl-N-propylpropanamide
CID 130891820

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl(propyl)amino]butan-2-one?
The IUPAC name of (3S)-3-[methyl(propyl)amino]butan-2-one (CID 93295226) is (3S)-3-[methyl(propyl)amino]butan-2-one.
What is the SMILES notation for (3S)-3-[methyl(propyl)amino]butan-2-one?
The canonical SMILES for (3S)-3-[methyl(propyl)amino]butan-2-one is CCCN(C)[C@@H](C)C(C)=O.
What is the InChIKey of (3S)-3-[methyl(propyl)amino]butan-2-one?
The InChIKey is FLZQMVBUVHYGMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-9(4)7(2)8(3)10/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (3S)-3-[methyl(propyl)amino]butan-2-one?
(3S)-3-[methyl(propyl)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 (3S)-3-[methyl(propyl)amino]butan-2-one is sourced from PubChem (CID 93295226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).