(prop-2-yn-1-yl)(quinolin-2-ylmethyl)amine

• ChemBase ID: 284601
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: n1c2c(ccc1CNCC#C)cccc2
• Canonical SMILES: C#CCNCc1ccc2c(n1)cccc2
• InChI: InChI=1S/C13H12N2/c1-2-9-14-10-12-8-7-11-5-3-4-6-13(11)15-12/h1,3-8,14H,9-10H2
• InChIKey: DFRITLDAMTVHCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-yn-1-yl)(quinolin-2-ylmethyl)amine
• IUPAC Traditional name: prop-2-yn-1-yl(quinolin-2-ylmethyl)amine
• Synonyms: (prop-2-yn-1-yl)(quinolin-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD11169312
• PubChem SID: 180670132
• PubChem CID: 28774752

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.013979748
• LogD (pH = 7.4): 1.625423
• Log P: 1.9988042
• Molar Refractivity: 60.2853 cm^3
• Polarizability: 24.85192 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.997

Product Information

• Purity: 95%