1-aminohexan-3-one

C6H13NO — CID 24973513

IUPAC1-aminohexan-3-one
SMILESCCCC(=O)CCN
InChIInChI=1S/C6H13NO/c1-2-3-6(8)4-5-7/h2-5,7H2,1H3
InChIKeyJQDMZKNBWABZJT-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.70
Rot. Bonds4

About 1-aminohexan-3-one

1-aminohexan-3-one (PubChem CID 24973513) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-aminohexan-3-one.

Molecular Properties

Compound Name1-aminohexan-3-one
PubChem CID24973513
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-aminohexan-3-one
SMILESCCCC(=O)CCN
InChIInChI=1S/C6H13NO/c1-2-3-6(8)4-5-7/h2-5,7H2,1H3
InChIKeyJQDMZKNBWABZJT-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 1-aminohexan-3-one?
The IUPAC name of 1-aminohexan-3-one (CID 24973513) is 1-aminohexan-3-one.
What is the SMILES notation for 1-aminohexan-3-one?
The canonical SMILES for 1-aminohexan-3-one is CCCC(=O)CCN.
What is the InChIKey of 1-aminohexan-3-one?
The InChIKey is JQDMZKNBWABZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-6(8)4-5-7/h2-5,7H2,1H3.
What are the key properties of 1-aminohexan-3-one?
1-aminohexan-3-one has a molecular weight of 115.18 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminohexan-3-one is sourced from PubChem (CID 24973513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).