2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine

• ChemBase ID: 270262
• Molecular Formular: C18H35N
• Molecular Mass: 265.4772
• Monoisotopic Mass: 265.27695013
• SMILES: N(C1C(C(C)C)CCCC1)C1C(C(C)C)CCCC1
• Canonical SMILES: CC(C1CCCCC1NC1CCCCC1C(C)C)C
• InChI: InChI=1S/C18H35N/c1-13(2)15-9-5-7-11-17(15)19-18-12-8-6-10-16(18)14(3)4/h13-19H,5-12H2,1-4H3
• InChIKey: LDFZMJRVNWWMIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine
• IUPAC Traditional name: 2-isopropyl-N-(2-isopropylcyclohexyl)cyclohexan-1-amine
• Synonyms: 2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine

Database IDs

• MDL Number: MFCD17167244
• PubChem SID: 164326172
• PubChem CID: 50986555

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3574147
• LogD (pH = 7.4): 2.4057605
• Log P: 5.598784
• Molar Refractivity: 83.9642 cm^3
• Polarizability: 34.018776 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.438

Product Information

• Purity: 95%