4-methyl-3-(methylamino)pentan-2-one

C7H15NO — CID 3268737

IUPAC4-methyl-3-(methylamino)pentan-2-one
SMILESCNC(C(C)=O)C(C)C
InChIInChI=1S/C7H15NO/c1-5(2)7(8-4)6(3)9/h5,7-8H,1-4H3
InChIKeyIGDRULGCCDGCAF-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.82
Rot. Bonds3

About 4-methyl-3-(methylamino)pentan-2-one

4-methyl-3-(methylamino)pentan-2-one (PubChem CID 3268737) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name4-methyl-3-(methylamino)pentan-2-one
PubChem CID3268737
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methyl-3-(methylamino)pentan-2-one
SMILESCNC(C(C)=O)C(C)C
InChIInChI=1S/C7H15NO/c1-5(2)7(8-4)6(3)9/h5,7-8H,1-4H3
InChIKeyIGDRULGCCDGCAF-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)pentan-2-one?
The IUPAC name of 4-methyl-3-(methylamino)pentan-2-one (CID 3268737) is 4-methyl-3-(methylamino)pentan-2-one.
What is the SMILES notation for 4-methyl-3-(methylamino)pentan-2-one?
The canonical SMILES for 4-methyl-3-(methylamino)pentan-2-one is CNC(C(C)=O)C(C)C.
What is the InChIKey of 4-methyl-3-(methylamino)pentan-2-one?
The InChIKey is IGDRULGCCDGCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)7(8-4)6(3)9/h5,7-8H,1-4H3.
What are the key properties of 4-methyl-3-(methylamino)pentan-2-one?
4-methyl-3-(methylamino)pentan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)pentan-2-one is sourced from PubChem (CID 3268737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).