(4S)-4-amino-5,5-dimethylhexan-3-one

C8H17NO — CID 58054153

IUPAC(4S)-4-amino-5,5-dimethylhexan-3-one
SMILESCCC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6(10)7(9)8(2,3)4/h7H,5,9H2,1-4H3/t7-/m1/s1
InChIKeyZPUFTPMJCIHTQO-SSDOTTSWSA-N
MW143.23 g/mol
LogP1.34
Rot. Bonds2

About (4S)-4-amino-5,5-dimethylhexan-3-one

(4S)-4-amino-5,5-dimethylhexan-3-one (PubChem CID 58054153) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4S)-4-amino-5,5-dimethylhexan-3-one.

Molecular Properties

Compound Name(4S)-4-amino-5,5-dimethylhexan-3-one
PubChem CID58054153
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4S)-4-amino-5,5-dimethylhexan-3-one
SMILESCCC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6(10)7(9)8(2,3)4/h7H,5,9H2,1-4H3/t7-/m1/s1
InChIKeyZPUFTPMJCIHTQO-SSDOTTSWSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-6,6-dimethylhept-1-yn-4-one
CID 116611317
4-hydroxy-5,5-dimethylhexan-3-one
CID 12692178
5-amino-2,6,6-trimethylhept-1-en-4-one
CID 116611540
(4R)-4-amino-5-methylhexan-3-one
CID 88898778
2-aminopentan-3-one
CID 10986165
5,5-dimethyl-4-propan-2-ylhexan-3-one
CID 58124172
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
2-amino-3,3-dimethylbutanethioic S-acid
CID 141177155
5-amino-6,6-dimethyl-1-methylsulfonylheptan-4-one
CID 116611382
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 103929498

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5,5-dimethylhexan-3-one?
The IUPAC name of (4S)-4-amino-5,5-dimethylhexan-3-one (CID 58054153) is (4S)-4-amino-5,5-dimethylhexan-3-one.
What is the SMILES notation for (4S)-4-amino-5,5-dimethylhexan-3-one?
The canonical SMILES for (4S)-4-amino-5,5-dimethylhexan-3-one is CCC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (4S)-4-amino-5,5-dimethylhexan-3-one?
The InChIKey is ZPUFTPMJCIHTQO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6(10)7(9)8(2,3)4/h7H,5,9H2,1-4H3/t7-/m1/s1.
What are the key properties of (4S)-4-amino-5,5-dimethylhexan-3-one?
(4S)-4-amino-5,5-dimethylhexan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5,5-dimethylhexan-3-one is sourced from PubChem (CID 58054153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).