3-amino-N,N-dimethylcyclohexane-1-carboxamide

• ChemBase ID: 275146
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(C1CC(N)CCC1)N(C)C
• Canonical SMILES: NC1CCCC(C1)C(=O)N(C)C
• InChI: InChI=1S/C9H18N2O/c1-11(2)9(12)7-4-3-5-8(10)6-7/h7-8H,3-6,10H2,1-2H3
• InChIKey: QCXYZVDUCFHTTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N,N-dimethylcyclohexane-1-carboxamide
• IUPAC Traditional name: 3-amino-N,N-dimethylcyclohexane-1-carboxamide
• Synonyms: 3-amino-N,N-dimethylcyclohexane-1-carboxamide

Database IDs

• MDL Number: MFCD12912022
• PubChem SID: 164331056
• PubChem CID: 54593541

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9875607
• LogD (pH = 7.4): -2.583705
• Log P: 0.036965698
• Molar Refractivity: 48.7885 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.188

Product Information

• Purity: 95%