N,2-bis[4-(2-methylpropyl)phenyl]propanimidamide hydrochloride

• ChemBase ID: 200845
• Molecular Formular: C23H33ClN2
• Molecular Mass: 372.97452
• Monoisotopic Mass: 372.23322675
• SMILES: C(=N)(Nc1ccc(CC(C)C)cc1)C(c1ccc(cc1)CC(C)C)C.Cl
• Canonical SMILES: CC(Cc1ccc(cc1)NC(=N)C(c1ccc(cc1)CC(C)C)C)C.Cl
• InChI: InChI=1S/C23H32N2.ClH/c1-16(2)14-19-6-10-21(11-7-19)18(5)23(24)25-22-12-8-20(9-13-22)15-17(3)4;/h6-13,16-18H,14-15H2,1-5H3,(H2,24,25);1H
• InChIKey: JOLFLJXEQDWWGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-bis[4-(2-methylpropyl)phenyl]propanimidamide hydrochloride
• IUPAC Traditional name: N,2-bis[4-(2-methylpropyl)phenyl]propanimidamide hydrochloride

Database IDs

• PubChem SID: 164256755
• PubChem CID: 52993889

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.580642
• LogD (pH = 7.4): 5.161003
• Log P: 6.980099
• Molar Refractivity: 120.273 cm^3
• Polarizability: 41.97991 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds