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

• ChemBase ID: 237242
• Molecular Formular: C8H13N
• Molecular Mass: 123.19552
• Monoisotopic Mass: 123.10479942
• SMILES: C(#C)CNC1CCCC1
• Canonical SMILES: C#CCNC1CCCC1
• InChI: InChI=1S/C8H13N/c1-2-7-9-8-5-3-4-6-8/h1,8-9H,3-7H2
• InChIKey: MNWLDSWPEXCQQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07411958
• PubChem SID: 164293152
• PubChem CID: 4724204

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7836381
• LogD (pH = 7.4): -0.6918707
• Log P: 1.3899064
• Molar Refractivity: 38.6868 cm^3
• Polarizability: 15.185205 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.554

Product Information

• Purity: 95%