3-(dimethylamino)-3-methylbutan-2-one

C7H15NO — CID 12054302

IUPAC3-(dimethylamino)-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)N(C)C
InChIInChI=1S/C7H15NO/c1-6(9)7(2,3)8(4)5/h1-5H3
InChIKeyKEOMTUVWCHXGTD-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.92
Rot. Bonds2

About 3-(dimethylamino)-3-methylbutan-2-one

3-(dimethylamino)-3-methylbutan-2-one (PubChem CID 12054302) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-methylbutan-2-one
PubChem CID12054302
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(dimethylamino)-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)N(C)C
InChIInChI=1S/C7H15NO/c1-6(9)7(2,3)8(4)5/h1-5H3
InChIKeyKEOMTUVWCHXGTD-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(dimethylamino)-3-methylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methylbutan-2-one?
The IUPAC name of 3-(dimethylamino)-3-methylbutan-2-one (CID 12054302) is 3-(dimethylamino)-3-methylbutan-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-methylbutan-2-one?
The canonical SMILES for 3-(dimethylamino)-3-methylbutan-2-one is CC(=O)C(C)(C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methylbutan-2-one?
The InChIKey is KEOMTUVWCHXGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(9)7(2,3)8(4)5/h1-5H3.
What are the key properties of 3-(dimethylamino)-3-methylbutan-2-one?
3-(dimethylamino)-3-methylbutan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methylbutan-2-one is sourced from PubChem (CID 12054302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).