3-(methylamino)pentan-2-one

C6H13NO — CID 22950689

IUPAC3-(methylamino)pentan-2-one
SMILESCCC(NC)C(C)=O
InChIInChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h6-7H,4H2,1-3H3
InChIKeyQXESXKCLSKGOKE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.57
Rot. Bonds3

About 3-(methylamino)pentan-2-one

3-(methylamino)pentan-2-one (PubChem CID 22950689) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name3-(methylamino)pentan-2-one
PubChem CID22950689
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(methylamino)pentan-2-one
SMILESCCC(NC)C(C)=O
InChIInChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h6-7H,4H2,1-3H3
InChIKeyQXESXKCLSKGOKE-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)pentan-2-one?
The IUPAC name of 3-(methylamino)pentan-2-one (CID 22950689) is 3-(methylamino)pentan-2-one.
What is the SMILES notation for 3-(methylamino)pentan-2-one?
The canonical SMILES for 3-(methylamino)pentan-2-one is CCC(NC)C(C)=O.
What is the InChIKey of 3-(methylamino)pentan-2-one?
The InChIKey is QXESXKCLSKGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-6(7-3)5(2)8/h6-7H,4H2,1-3H3.
What are the key properties of 3-(methylamino)pentan-2-one?
3-(methylamino)pentan-2-one has a molecular weight of 115.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)pentan-2-one is sourced from PubChem (CID 22950689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).