2-cyclohexyl-N-cyclopropylcyclohexan-1-amine

• ChemBase ID: 284058
• Molecular Formular: C15H27N
• Molecular Mass: 221.38158
• Monoisotopic Mass: 221.21434987
• SMILES: N(C1C(C2CCCCC2)CCCC1)C1CC1
• Canonical SMILES: C1CCC(CC1)C1CCCCC1NC1CC1
• InChI: InChI=1S/C15H27N/c1-2-6-12(7-3-1)14-8-4-5-9-15(14)16-13-10-11-13/h12-16H,1-11H2
• InChIKey: GYOXCRDTESKNMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-N-cyclopropylcyclohexan-1-amine
• IUPAC Traditional name: 2-cyclohexyl-N-cyclopropylcyclohexan-1-amine
• Synonyms: 2-cyclohexyl-N-cyclopropylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD12146399
• PubChem SID: 180669589
• PubChem CID: 43222899

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.80211097
• LogD (pH = 7.4): 1.1054215
• Log P: 4.0384974
• Molar Refractivity: 68.5408 cm^3
• Polarizability: 27.736721 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.647

Product Information

• Purity: 95%