2-amino-N-cyclohexyl-N,2-dimethylpropanamide hydrochloride

• ChemBase ID: 48861
• Molecular Formular: C11H23ClN2O
• Molecular Mass: 234.76612
• Monoisotopic Mass: 234.14989105
• SMILES: C(=O)(N(C1CCCCC1)C)C(N)(C)C.Cl
• Canonical SMILES: CN(C(=O)C(N)(C)C)C1CCCCC1.Cl
• InChI: InChI=1S/C11H22N2O.ClH/c1-11(2,12)10(14)13(3)9-7-5-4-6-8-9;/h9H,4-8,12H2,1-3H3;1H
• InChIKey: OFILKUVKTZIDFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-cyclohexyl-N,2-dimethylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-cyclohexyl-N,2-dimethylpropanamide hydrochloride
• Synonyms: 2-Amino-N-cyclohexyl-N,2-dimethylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562110
• PubChem SID: 162053624
• PubChem CID: 56831867

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4868132
• LogD (pH = 7.4): 0.040637694
• Log P: 1.2937347
• Molar Refractivity: 57.8404 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false