3-amino-N-cyclohexyl-N-methylpropanamide hydrochloride

• ChemBase ID: 48803
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: C(=O)(N(C1CCCCC1)C)CCN.Cl
• Canonical SMILES: NCCC(=O)N(C1CCCCC1)C.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-12(10(13)7-8-11)9-5-3-2-4-6-9;/h9H,2-8,11H2,1H3;1H
• InChIKey: FCWIFOZMNWOMNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-cyclohexyl-N-methylpropanamide hydrochloride
• IUPAC Traditional name: 3-amino-N-cyclohexyl-N-methylpropanamide hydrochloride
• Synonyms: 3-Amino-N-cyclohexyl-N-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562053
• PubChem SID: 162053566
• PubChem CID: 56831839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4048345
• LogD (pH = 7.4): -1.182097
• Log P: 0.52921724
• Molar Refractivity: 53.3326 cm^3
• Polarizability: 21.152966 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