N-benzyl-2,2-dimethylcyclopentan-1-amine

• ChemBase ID: 235392
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: C1(C(NCc2ccccc2)CCC1)(C)C
• Canonical SMILES: CC1(C)CCCC1NCc1ccccc1
• InChI: InChI=1S/C14H21N/c1-14(2)10-6-9-13(14)15-11-12-7-4-3-5-8-12/h3-5,7-8,13,15H,6,9-11H2,1-2H3
• InChIKey: SVFXNOIEXLMEGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2,2-dimethylcyclopentan-1-amine
• IUPAC Traditional name: N-benzyl-2,2-dimethylcyclopentan-1-amine
• Synonyms: N-benzyl-2,2-dimethylcyclopentan-1-amine

Database IDs

• MDL Number: MFCD22056412
• PubChem SID: 164291302
• PubChem CID: 71755500

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.40560177
• LogD (pH = 7.4): 1.0328764
• Log P: 3.62927
• Molar Refractivity: 64.5889 cm^3
• Polarizability: 25.932264 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.02

Product Information

• Purity: 95%