1-amino-2-methylhexan-3-one

C7H15NO — CID 116564408

IUPAC1-amino-2-methylhexan-3-one
SMILESCCCC(=O)C(C)CN
InChIInChI=1S/C7H15NO/c1-3-4-7(9)6(2)5-8/h6H,3-5,8H2,1-2H3
InChIKeyFPMDECFOJKKNAL-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.95
Rot. Bonds4

About 1-amino-2-methylhexan-3-one

1-amino-2-methylhexan-3-one (PubChem CID 116564408) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-2-methylhexan-3-one.

Molecular Properties

Compound Name1-amino-2-methylhexan-3-one
PubChem CID116564408
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-2-methylhexan-3-one
SMILESCCCC(=O)C(C)CN
InChIInChI=1S/C7H15NO/c1-3-4-7(9)6(2)5-8/h6H,3-5,8H2,1-2H3
InChIKeyFPMDECFOJKKNAL-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-methyl-4-oxoheptanamide
CID 57153231
3-methyl-4-oxoheptanoic acid
CID 19914762
5,8-dimethylnon-7-en-4-one
CID 118393642
diiminoazanium;3-methylheptan-4-one
CID 175383752
(3S)-3-amino-2-methylheptan-4-one
CID 88971560
1-amino-5-tert-butylsulfonyl-2-methylpentan-3-one
CID 106736334
(3R)-2,3-dimethylheptan-4-one
CID 121285503
2,3-dimethylheptan-4-one
CID 19867142
1-amino-5-(aminomethyl)-2-methyloctane-3,6-dione
CID 163797367
propyl 3-amino-2-methylpropanoate
CID 54192704
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
3-amino-2-methylheptan-4-one;hydrochloride
CID 163199356

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylhexan-3-one?
The IUPAC name of 1-amino-2-methylhexan-3-one (CID 116564408) is 1-amino-2-methylhexan-3-one.
What is the SMILES notation for 1-amino-2-methylhexan-3-one?
The canonical SMILES for 1-amino-2-methylhexan-3-one is CCCC(=O)C(C)CN.
What is the InChIKey of 1-amino-2-methylhexan-3-one?
The InChIKey is FPMDECFOJKKNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-7(9)6(2)5-8/h6H,3-5,8H2,1-2H3.
What are the key properties of 1-amino-2-methylhexan-3-one?
1-amino-2-methylhexan-3-one has a molecular weight of 129.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylhexan-3-one is sourced from PubChem (CID 116564408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).