(4S)-4-amino-2,5-dimethylhexan-3-one

C8H17NO — CID 59090903

IUPAC(4S)-4-amino-2,5-dimethylhexan-3-one
SMILESCC(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C8H17NO/c1-5(2)7(9)8(10)6(3)4/h5-7H,9H2,1-4H3/t7-/m0/s1
InChIKeyHRDWHBMAXHWZBF-ZETCQYMHSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds3

About (4S)-4-amino-2,5-dimethylhexan-3-one

(4S)-4-amino-2,5-dimethylhexan-3-one (PubChem CID 59090903) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4S)-4-amino-2,5-dimethylhexan-3-one.

Molecular Properties

Compound Name(4S)-4-amino-2,5-dimethylhexan-3-one
PubChem CID59090903
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4S)-4-amino-2,5-dimethylhexan-3-one
SMILESCC(C)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C8H17NO/c1-5(2)7(9)8(10)6(3)4/h5-7H,9H2,1-4H3/t7-/m0/s1
InChIKeyHRDWHBMAXHWZBF-ZETCQYMHSA-N
XLogP1.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-2,5-dimethylhexan-3-one?
The IUPAC name of (4S)-4-amino-2,5-dimethylhexan-3-one (CID 59090903) is (4S)-4-amino-2,5-dimethylhexan-3-one.
What is the SMILES notation for (4S)-4-amino-2,5-dimethylhexan-3-one?
The canonical SMILES for (4S)-4-amino-2,5-dimethylhexan-3-one is CC(C)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (4S)-4-amino-2,5-dimethylhexan-3-one?
The InChIKey is HRDWHBMAXHWZBF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO/c1-5(2)7(9)8(10)6(3)4/h5-7H,9H2,1-4H3/t7-/m0/s1.
What are the key properties of (4S)-4-amino-2,5-dimethylhexan-3-one?
(4S)-4-amino-2,5-dimethylhexan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-2,5-dimethylhexan-3-one is sourced from PubChem (CID 59090903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).