(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one

C9H20N2O — CID 88918874

IUPAC(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one
SMILESCC(C)C(=O)[C@@H](N)CCN(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)9(12)8(10)5-6-11(3)4/h7-8H,5-6,10H2,1-4H3/t8-/m0/s1
InChIKeyQSKPIXYLYOMKKX-QMMMGPOBSA-N
MW172.27 g/mol
LogP0.49
Rot. Bonds5

About (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one

(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one (PubChem CID 88918874) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one.

Molecular Properties

Compound Name(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one
PubChem CID88918874
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one
SMILESCC(C)C(=O)[C@@H](N)CCN(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)9(12)8(10)5-6-11(3)4/h7-8H,5-6,10H2,1-4H3/t8-/m0/s1
InChIKeyQSKPIXYLYOMKKX-QMMMGPOBSA-N
XLogP0.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one?
The IUPAC name of (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one (CID 88918874) is (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one.
What is the SMILES notation for (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one?
The canonical SMILES for (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one is CC(C)C(=O)[C@@H](N)CCN(C)C.
What is the InChIKey of (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one?
The InChIKey is QSKPIXYLYOMKKX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)9(12)8(10)5-6-11(3)4/h7-8H,5-6,10H2,1-4H3/t8-/m0/s1.
What are the key properties of (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one?
(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one has a molecular weight of 172.27 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one is sourced from PubChem (CID 88918874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).