6-amino-2-methylhexan-3-one

C7H15NO — CID 20612178

IUPAC6-amino-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCN
InChIInChI=1S/C7H15NO/c1-6(2)7(9)4-3-5-8/h6H,3-5,8H2,1-2H3
InChIKeyAONBYXQODBRWMI-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.95
Rot. Bonds4

About 6-amino-2-methylhexan-3-one

6-amino-2-methylhexan-3-one (PubChem CID 20612178) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 6-amino-2-methylhexan-3-one.

Molecular Properties

Compound Name6-amino-2-methylhexan-3-one
PubChem CID20612178
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name6-amino-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCN
InChIInChI=1S/C7H15NO/c1-6(2)7(9)4-3-5-8/h6H,3-5,8H2,1-2H3
InChIKeyAONBYXQODBRWMI-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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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylhexan-3-one?
The IUPAC name of 6-amino-2-methylhexan-3-one (CID 20612178) is 6-amino-2-methylhexan-3-one.
What is the SMILES notation for 6-amino-2-methylhexan-3-one?
The canonical SMILES for 6-amino-2-methylhexan-3-one is CC(C)C(=O)CCCN.
What is the InChIKey of 6-amino-2-methylhexan-3-one?
The InChIKey is AONBYXQODBRWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)7(9)4-3-5-8/h6H,3-5,8H2,1-2H3.
What are the key properties of 6-amino-2-methylhexan-3-one?
6-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 6-amino-2-methylhexan-3-one is sourced from PubChem (CID 20612178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).