4-(propan-2-yl)cyclohexane-1-carboximidamide hydrochloride

• ChemBase ID: 239437
• Molecular Formular: C10H21ClN2
• Molecular Mass: 204.74014
• Monoisotopic Mass: 204.13932636
• SMILES: C(=N)(C1CCC(CC1)C(C)C)N.Cl
• Canonical SMILES: CC(C1CCC(CC1)C(=N)N)C.Cl
• InChI: InChI=1S/C10H20N2.ClH/c1-7(2)8-3-5-9(6-4-8)10(11)12;/h7-9H,3-6H2,1-2H3,(H3,11,12);1H
• InChIKey: YIDKBAUYWQOMSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)cyclohexane-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-isopropylcyclohexane-1-carboximidamide hydrochloride
• Synonyms: 4-(propan-2-yl)cyclohexane-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD22378742
• PubChem SID: 164295347
• PubChem CID: 71756411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.24380404
• LogD (pH = 7.4): -0.24334675
• Log P: 2.171649
• Molar Refractivity: 61.9604 cm^3
• Polarizability: 20.289825 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.254

Product Information

• Purity: 95%