2-(methylamino)hexan-3-one

C7H15NO — CID 55287131

IUPAC2-(methylamino)hexan-3-one
SMILESCCCC(=O)C(C)NC
InChIInChI=1S/C7H15NO/c1-4-5-7(9)6(2)8-3/h6,8H,4-5H2,1-3H3
InChIKeyKCZWCJXOPWRFPG-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.96
Rot. Bonds4

About 2-(methylamino)hexan-3-one

2-(methylamino)hexan-3-one (PubChem CID 55287131) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(methylamino)hexan-3-one.

Molecular Properties

Compound Name2-(methylamino)hexan-3-one
PubChem CID55287131
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(methylamino)hexan-3-one
SMILESCCCC(=O)C(C)NC
InChIInChI=1S/C7H15NO/c1-4-5-7(9)6(2)8-3/h6,8H,4-5H2,1-3H3
InChIKeyKCZWCJXOPWRFPG-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 2-(methylamino)hexan-3-one?
The IUPAC name of 2-(methylamino)hexan-3-one (CID 55287131) is 2-(methylamino)hexan-3-one.
What is the SMILES notation for 2-(methylamino)hexan-3-one?
The canonical SMILES for 2-(methylamino)hexan-3-one is CCCC(=O)C(C)NC.
What is the InChIKey of 2-(methylamino)hexan-3-one?
The InChIKey is KCZWCJXOPWRFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(9)6(2)8-3/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-(methylamino)hexan-3-one?
2-(methylamino)hexan-3-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 2-(methylamino)hexan-3-one is sourced from PubChem (CID 55287131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).