4-methyl-5-(methylamino)pentan-2-one

C7H15NO — CID 20632141

IUPAC4-methyl-5-(methylamino)pentan-2-one
SMILESCNCC(C)CC(C)=O
InChIInChI=1S/C7H15NO/c1-6(5-8-3)4-7(2)9/h6,8H,4-5H2,1-3H3
InChIKeyCSGHXKWUWOOCTB-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.82
Rot. Bonds4

About 4-methyl-5-(methylamino)pentan-2-one

4-methyl-5-(methylamino)pentan-2-one (PubChem CID 20632141) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methyl-5-(methylamino)pentan-2-one.

Molecular Properties

Compound Name4-methyl-5-(methylamino)pentan-2-one
PubChem CID20632141
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methyl-5-(methylamino)pentan-2-one
SMILESCNCC(C)CC(C)=O
InChIInChI=1S/C7H15NO/c1-6(5-8-3)4-7(2)9/h6,8H,4-5H2,1-3H3
InChIKeyCSGHXKWUWOOCTB-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylamino)pentan-2-one?
The IUPAC name of 4-methyl-5-(methylamino)pentan-2-one (CID 20632141) is 4-methyl-5-(methylamino)pentan-2-one.
What is the SMILES notation for 4-methyl-5-(methylamino)pentan-2-one?
The canonical SMILES for 4-methyl-5-(methylamino)pentan-2-one is CNCC(C)CC(C)=O.
What is the InChIKey of 4-methyl-5-(methylamino)pentan-2-one?
The InChIKey is CSGHXKWUWOOCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(5-8-3)4-7(2)9/h6,8H,4-5H2,1-3H3.
What are the key properties of 4-methyl-5-(methylamino)pentan-2-one?
4-methyl-5-(methylamino)pentan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylamino)pentan-2-one is sourced from PubChem (CID 20632141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).