3-aminohexan-2-one

C6H13NO — CID 20613280

IUPAC3-aminohexan-2-one
SMILESCCCC(N)C(C)=O
InChIInChI=1S/C6H13NO/c1-3-4-6(7)5(2)8/h6H,3-4,7H2,1-2H3
InChIKeyJSSKKCFDEASHBK-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.70
Rot. Bonds3

About 3-aminohexan-2-one

3-aminohexan-2-one (PubChem CID 20613280) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-aminohexan-2-one.

Molecular Properties

Compound Name3-aminohexan-2-one
PubChem CID20613280
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-aminohexan-2-one
SMILESCCCC(N)C(C)=O
InChIInChI=1S/C6H13NO/c1-3-4-6(7)5(2)8/h6H,3-4,7H2,1-2H3
InChIKeyJSSKKCFDEASHBK-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminohexan-2-one?
The IUPAC name of 3-aminohexan-2-one (CID 20613280) is 3-aminohexan-2-one.
What is the SMILES notation for 3-aminohexan-2-one?
The canonical SMILES for 3-aminohexan-2-one is CCCC(N)C(C)=O.
What is the InChIKey of 3-aminohexan-2-one?
The InChIKey is JSSKKCFDEASHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-6(7)5(2)8/h6H,3-4,7H2,1-2H3.
What are the key properties of 3-aminohexan-2-one?
3-aminohexan-2-one has a molecular weight of 115.18 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminohexan-2-one is sourced from PubChem (CID 20613280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).