1-(aminomethyl)-N-(1-phenylethyl)cyclopentan-1-amine

• ChemBase ID: 272700
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: N(C1(CN)CCCC1)C(c1ccccc1)C
• Canonical SMILES: NCC1(CCCC1)NC(c1ccccc1)C
• InChI: InChI=1S/C14H22N2/c1-12(13-7-3-2-4-8-13)16-14(11-15)9-5-6-10-14/h2-4,7-8,12,16H,5-6,9-11,15H2,1H3
• InChIKey: YANPMOTVPRGJPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(aminomethyl)-N-(1-phenylethyl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(aminomethyl)-N-(1-phenylethyl)cyclopentan-1-amine
• Synonyms: 1-(aminomethyl)-N-(1-phenylethyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD18380744
• PubChem SID: 164328610
• PubChem CID: 50987531

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.4532793
• LogD (pH = 7.4): -0.25907505
• Log P: 2.4296565
• Molar Refractivity: 67.9774 cm^3
• Polarizability: 27.446888 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.763

Product Information

• Purity: 95%