N-(3-phenylprop-2-yn-1-yl)cyclopentanamine

• ChemBase ID: 312252
• Molecular Formular: C14H17N
• Molecular Mass: 199.29148
• Monoisotopic Mass: 199.13609955
• SMILES: C(#CCNC1CCCC1)c1ccccc1
• Canonical SMILES: C1CCC(C1)NCC#Cc1ccccc1
• InChI: InChI=1S/C14H17N/c1-2-7-13(8-3-1)9-6-12-15-14-10-4-5-11-14/h1-3,7-8,14-15H,4-5,10-12H2
• InChIKey: QQSSYVJZNJRSSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-phenylprop-2-yn-1-yl)cyclopentanamine
• IUPAC Traditional name: N-(3-phenylprop-2-yn-1-yl)cyclopentanamine
• Synonyms: N-(3-phenyl-2-propyn-1-yl)cyclopentanamine

Database IDs

• CAS Number: 880804-47-7
• MDL Number: MFCD07405687

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.31439945
• LogD (pH = 7.4): 1.7737341
• Log P: 3.3601406
• Molar Refractivity: 61.3511 cm^3
• Polarizability: 24.815193 Å^3
• Polar Surface Area: 12.03 Å^2