N-benzylcyclohexanamine

• ChemBase ID: 260772
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: N(Cc1ccccc1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)NCc1ccccc1
• InChI: InChI=1S/C13H19N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
• InChIKey: IYWYMFZAZUYNLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylcyclohexanamine
• IUPAC Traditional name: N-benzylcyclohexanamine
• Synonyms: N-benzylcyclohexanamine

Database IDs

• CAS Number: 4383-25-9
• MDL Number: MFCD00465456
• PubChem SID: 164316682
• PubChem CID: 204463

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.10675116
• LogD (pH = 7.4): 0.72607744
• Log P: 3.3308651
• Molar Refractivity: 60.3202 cm^3
• Polarizability: 24.085228 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.541

Product Information

• Purity: 95%