(4R)-4-amino-5-methylhexan-3-one

C7H15NO — CID 88898778

IUPAC(4R)-4-amino-5-methylhexan-3-one
SMILESCCC(=O)[C@H](N)C(C)C
InChIInChI=1S/C7H15NO/c1-4-6(9)7(8)5(2)3/h5,7H,4,8H2,1-3H3/t7-/m1/s1
InChIKeyQDKQUZGTROWGGW-SSDOTTSWSA-N
MW129.20 g/mol
LogP0.95
Rot. Bonds3

About (4R)-4-amino-5-methylhexan-3-one

(4R)-4-amino-5-methylhexan-3-one (PubChem CID 88898778) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4R)-4-amino-5-methylhexan-3-one.

Molecular Properties

Compound Name(4R)-4-amino-5-methylhexan-3-one
PubChem CID88898778
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4R)-4-amino-5-methylhexan-3-one
SMILESCCC(=O)[C@H](N)C(C)C
InChIInChI=1S/C7H15NO/c1-4-6(9)7(8)5(2)3/h5,7H,4,8H2,1-3H3/t7-/m1/s1
InChIKeyQDKQUZGTROWGGW-SSDOTTSWSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-2-methylheptan-4-one
CID 88971560
3-amino-2-methylheptan-4-one;hydrochloride
CID 163199356
2-aminopentan-3-one
CID 10986165
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
CID 155089118
3-amino-2,7-dimethyloct-7-en-4-one
CID 114477853
(4S)-4-amino-5,5-dimethylhexan-3-one
CID 58054153
(3S)-3-amino-2,7,7-trimethyloctan-4-one
CID 89201643
(3S)-3,7-diamino-2,6,7-trimethyloctan-4-one
CID 174403223
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
(2S)-1,2-diaminopentan-3-one
CID 88560983
4,5,6-trimethylheptan-3-one
CID 123222791

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-methylhexan-3-one?
The IUPAC name of (4R)-4-amino-5-methylhexan-3-one (CID 88898778) is (4R)-4-amino-5-methylhexan-3-one.
What is the SMILES notation for (4R)-4-amino-5-methylhexan-3-one?
The canonical SMILES for (4R)-4-amino-5-methylhexan-3-one is CCC(=O)[C@H](N)C(C)C.
What is the InChIKey of (4R)-4-amino-5-methylhexan-3-one?
The InChIKey is QDKQUZGTROWGGW-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(9)7(8)5(2)3/h5,7H,4,8H2,1-3H3/t7-/m1/s1.
What are the key properties of (4R)-4-amino-5-methylhexan-3-one?
(4R)-4-amino-5-methylhexan-3-one has a molecular weight of 129.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-methylhexan-3-one is sourced from PubChem (CID 88898778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).