N-(but-2-yn-1-yl)cyclopentanamine

• ChemBase ID: 238342
• Molecular Formular: C9H15N
• Molecular Mass: 137.2221
• Monoisotopic Mass: 137.12044949
• SMILES: C(#CC)CNC1CCCC1
• Canonical SMILES: CC#CCNC1CCCC1
• InChI: InChI=1S/C9H15N/c1-2-3-8-10-9-6-4-5-7-9/h9-10H,4-8H2,1H3
• InChIKey: FOEVFKRBZPLKBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(but-2-yn-1-yl)cyclopentanamine
• IUPAC Traditional name: N-(but-2-yn-1-yl)cyclopentanamine
• Synonyms: N-(but-2-yn-1-yl)cyclopentanamine

Database IDs

• MDL Number: MFCD16705559
• PubChem SID: 164294252
• PubChem CID: 62311529

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9411242
• LogD (pH = 7.4): 0.18169536
• Log P: 2.2263365
• Molar Refractivity: 44.1876 cm^3
• Polarizability: 17.031796 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.083

Product Information

• Purity: 95%