2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide

C13H27NO — CID 126606226

IUPAC2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
SMILESCCC(C)(CC)C(CC(C)(C)C)C(N)=O
InChIInChI=1S/C13H27NO/c1-7-13(6,8-2)10(11(14)15)9-12(3,4)5/h10H,7-9H2,1-6H3,(H2,14,15)
InChIKeyXXUJCTGDAVMUOR-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.35
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide

2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide (PubChem CID 126606226) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
PubChem CID126606226
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide
SMILESCCC(C)(CC)C(CC(C)(C)C)C(N)=O
InChIInChI=1S/C13H27NO/c1-7-13(6,8-2)10(11(14)15)9-12(3,4)5/h10H,7-9H2,1-6H3,(H2,14,15)
InChIKeyXXUJCTGDAVMUOR-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide 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 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide (CID 126606226) is 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide is CCC(C)(CC)C(CC(C)(C)C)C(N)=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide?
The InChIKey is XXUJCTGDAVMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-13(6,8-2)10(11(14)15)9-12(3,4)5/h10H,7-9H2,1-6H3,(H2,14,15).
What are the key properties of 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide?
2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide has a molecular weight of 213.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-ethyl-3-methylpentanamide is sourced from PubChem (CID 126606226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).