2-amino-N-cyclohexyl-N-methylpropanamide hydrochloride

• ChemBase ID: 48746
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(N(C1CCCCC1)C)C(N)C.Cl
• Canonical SMILES: CC(C(=O)N(C1CCCCC1)C)N.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-8(11)10(13)12(2)9-6-4-3-5-7-9;/h8-9H,3-7,11H2,1-2H3;1H
• InChIKey: ATUBIMZSOLAGFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562008
• PubChem SID: 162053509
• PubChem CID: 56831817

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7891672
• LogD (pH = 7.4): -0.15960065
• Log P: 0.8609687
• Molar Refractivity: 53.1271 cm^3
• Polarizability: 21.152966 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