2-amino-N-cyclohexyl-N-ethylpropanamide hydrochloride

• ChemBase ID: 48749
• Molecular Formular: C11H23ClN2O
• Molecular Mass: 234.76612
• Monoisotopic Mass: 234.14989105
• SMILES: C(=O)(N(C1CCCCC1)CC)C(N)C.Cl
• Canonical SMILES: CCN(C(=O)C(N)C)C1CCCCC1.Cl
• InChI: InChI=1S/C11H22N2O.ClH/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10;/h9-10H,3-8,12H2,1-2H3;1H
• InChIKey: HWZNTICNHLMJJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562011
• PubChem SID: 162053512
• PubChem CID: 56831819

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4321744
• LogD (pH = 7.4): 0.19749041
• Log P: 1.2177767
• Molar Refractivity: 57.8757 cm^3
• Polarizability: 22.99533 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false