1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone

C12H23NO — CID 63914315

IUPAC1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
SMILESCC(N(C)CC(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(12(2,3)4)13(5)8-11(14)10-6-7-10/h9-10H,6-8H2,1-5H3
InChIKeyQNGAOIJHESCYOP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds4

About 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone

1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone (PubChem CID 63914315) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
PubChem CID63914315
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone
SMILESCC(N(C)CC(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(12(2,3)4)13(5)8-11(14)10-6-7-10/h9-10H,6-8H2,1-5H3
InChIKeyQNGAOIJHESCYOP-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone 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 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone (CID 63914315) is 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone is CC(N(C)CC(=O)C1CC1)C(C)(C)C.
What is the InChIKey of 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone?
The InChIKey is QNGAOIJHESCYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(12(2,3)4)13(5)8-11(14)10-6-7-10/h9-10H,6-8H2,1-5H3.
What are the key properties of 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone?
1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone has a molecular weight of 197.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3,3-dimethylbutan-2-yl(methyl)amino]ethanone is sourced from PubChem (CID 63914315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).