3-(methylamino)hexan-2-one

C7H15NO — CID 18345560

IUPAC3-(methylamino)hexan-2-one
SMILESCCCC(NC)C(C)=O
InChIInChI=1S/C7H15NO/c1-4-5-7(8-3)6(2)9/h7-8H,4-5H2,1-3H3
InChIKeyAJIJHIJNLPIHJQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.96
Rot. Bonds4

About 3-(methylamino)hexan-2-one

3-(methylamino)hexan-2-one (PubChem CID 18345560) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name3-(methylamino)hexan-2-one
PubChem CID18345560
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(methylamino)hexan-2-one
SMILESCCCC(NC)C(C)=O
InChIInChI=1S/C7H15NO/c1-4-5-7(8-3)6(2)9/h7-8H,4-5H2,1-3H3
InChIKeyAJIJHIJNLPIHJQ-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)hexan-2-one?
The IUPAC name of 3-(methylamino)hexan-2-one (CID 18345560) is 3-(methylamino)hexan-2-one.
What is the SMILES notation for 3-(methylamino)hexan-2-one?
The canonical SMILES for 3-(methylamino)hexan-2-one is CCCC(NC)C(C)=O.
What is the InChIKey of 3-(methylamino)hexan-2-one?
The InChIKey is AJIJHIJNLPIHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(8-3)6(2)9/h7-8H,4-5H2,1-3H3.
What are the key properties of 3-(methylamino)hexan-2-one?
3-(methylamino)hexan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)hexan-2-one is sourced from PubChem (CID 18345560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).