1-amino-N,N-dimethylcyclohexane-1-carboxamide hydrochloride

• ChemBase ID: 235203
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: C(=O)(C1(N)CCCCC1)N(C)C.Cl
• Canonical SMILES: CN(C(=O)C1(N)CCCCC1)C.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c1-11(2)8(12)9(10)6-4-3-5-7-9;/h3-7,10H2,1-2H3;1H
• InChIKey: NWCLGJHCWOEQSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22056378
• PubChem SID: 164291113
• PubChem CID: 71755454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3050258
• LogD (pH = 7.4): -0.8347733
• Log P: 0.52035165
• Molar Refractivity: 48.673 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): 0.756

Product Information

• Purity: 95%