4-amino-2,4-dimethylhexan-3-one

C8H17NO — CID 116590206

IUPAC4-amino-2,4-dimethylhexan-3-one
SMILESCCC(C)(N)C(=O)C(C)C
InChIInChI=1S/C8H17NO/c1-5-8(4,9)7(10)6(2)3/h6H,5,9H2,1-4H3
InChIKeyKNMNADSWIGEBNA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.34
Rot. Bonds3

About 4-amino-2,4-dimethylhexan-3-one

4-amino-2,4-dimethylhexan-3-one (PubChem CID 116590206) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-amino-2,4-dimethylhexan-3-one.

Molecular Properties

Compound Name4-amino-2,4-dimethylhexan-3-one
PubChem CID116590206
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-amino-2,4-dimethylhexan-3-one
SMILESCCC(C)(N)C(=O)C(C)C
InChIInChI=1S/C8H17NO/c1-5-8(4,9)7(10)6(2)3/h6H,5,9H2,1-4H3
InChIKeyKNMNADSWIGEBNA-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-ethyl-3-methylheptan-4-one
CID 116590488
3-amino-3,5-dimethyloctan-4-one
CID 107890205
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-(15N)azanyl-2-methylbutanamide
CID 10844374
4-(diethylamino)-2,4-dimethylhexan-3-one
CID 79063676
2-amino-N-butan-2-yl-N,2-dimethylbutanamide
CID 79797343
5-amino-4-hydroxy-2,4,5-trimethylhexan-3-one
CID 135136590
3-methylbutyl 2-amino-2-methylbutanoate
CID 79798258
3-amino-3,6-dimethylnonan-4-one
CID 116590350
2-methylbutan-2-yl 2-methylpropaneperoxoate
CID 54000649
1,1-diamino-1-iodo-3-methylbutan-2-one
CID 163707476
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,4-dimethylhexan-3-one?
The IUPAC name of 4-amino-2,4-dimethylhexan-3-one (CID 116590206) is 4-amino-2,4-dimethylhexan-3-one.
What is the SMILES notation for 4-amino-2,4-dimethylhexan-3-one?
The canonical SMILES for 4-amino-2,4-dimethylhexan-3-one is CCC(C)(N)C(=O)C(C)C.
What is the InChIKey of 4-amino-2,4-dimethylhexan-3-one?
The InChIKey is KNMNADSWIGEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-8(4,9)7(10)6(2)3/h6H,5,9H2,1-4H3.
What are the key properties of 4-amino-2,4-dimethylhexan-3-one?
4-amino-2,4-dimethylhexan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,4-dimethylhexan-3-one is sourced from PubChem (CID 116590206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).