(3R)-3-(methylamino)hexan-2-one

C7H15NO — CID 59965969

IUPAC(3R)-3-(methylamino)hexan-2-one
SMILESCCC[C@@H](NC)C(C)=O
InChIInChI=1S/C7H15NO/c1-4-5-7(8-3)6(2)9/h7-8H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyAJIJHIJNLPIHJQ-SSDOTTSWSA-N
MW129.20 g/mol
LogP0.96
Rot. Bonds4

About (3R)-3-(methylamino)hexan-2-one

(3R)-3-(methylamino)hexan-2-one (PubChem CID 59965969) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3R)-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name(3R)-3-(methylamino)hexan-2-one
PubChem CID59965969
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3R)-3-(methylamino)hexan-2-one
SMILESCCC[C@@H](NC)C(C)=O
InChIInChI=1S/C7H15NO/c1-4-5-7(8-3)6(2)9/h7-8H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyAJIJHIJNLPIHJQ-SSDOTTSWSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetylpyrrolidine
CID 550747
2-Methylamino-3-butanone
CID 21639832
Cyclohexanone, 2-(methylamino)-
CID 4041003
(S)-2-Acetyl-pyrrolidine
CID 10987973
2-(Methylamino)pentan-3-one
CID 12247385
6-Methylamino-2-hexanone
CID 13679983
2-(N-Methylamino)-cyclopentanon
CID 14298045
2-(Methylamino)cyclohexanone hydrochloride
CID 20499288
3-Aminohexan-2-one
CID 20613280
(3S)-3-(methylamino)butan-2-one
CID 29920158
(R)-2-Acetyl-pyrrolidine
CID 53824472
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)hexan-2-one?
The IUPAC name of (3R)-3-(methylamino)hexan-2-one (CID 59965969) is (3R)-3-(methylamino)hexan-2-one.
What is the SMILES notation for (3R)-3-(methylamino)hexan-2-one?
The canonical SMILES for (3R)-3-(methylamino)hexan-2-one is CCC[C@@H](NC)C(C)=O.
What is the InChIKey of (3R)-3-(methylamino)hexan-2-one?
The InChIKey is AJIJHIJNLPIHJQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(8-3)6(2)9/h7-8H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-3-(methylamino)hexan-2-one?
(3R)-3-(methylamino)hexan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)hexan-2-one is sourced from PubChem (CID 59965969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).