(prop-2-yn-1-yl)(propyl)amine

• ChemBase ID: 263187
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C(#C)CNCCC
• Canonical SMILES: CCCNCC#C
• InChI: InChI=1S/C6H11N/c1-3-5-7-6-4-2/h1,7H,4-6H2,2H3
• InChIKey: MDMPAKJUMKBYNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07411966
• PubChem SID: 164319097
• PubChem CID: 4724212

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.242204
• LogD (pH = 7.4): -1.07056
• Log P: 0.9145349
• Molar Refractivity: 31.5462 cm^3
• Polarizability: 12.2332 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.14

Product Information

• Purity: 95%