hex-5-yn-3-amine

• ChemBase ID: 279279
• Molecular Formular: C6H11N
• Molecular Mass: 97.15824
• Monoisotopic Mass: 97.08914936
• SMILES: C(#C)CC(N)CC
• Canonical SMILES: CCC(CC#C)N
• InChI: InChI=1S/C6H11N/c1-3-5-6(7)4-2/h1,6H,4-5,7H2,2H3
• InChIKey: QRSKOUFDYNFCNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hex-5-yn-3-amine
• IUPAC Traditional name: hex-5-yn-3-amine
• Synonyms: hex-5-yn-3-amine

Database IDs

• MDL Number: MFCD16698395
• PubChem SID: 164335189
• PubChem CID: 21192690

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1919181
• LogD (pH = 7.4): -1.7256864
• Log P: 0.8303828
• Molar Refractivity: 31.1968 cm^3
• Polarizability: 12.2332 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.753

Product Information

• Purity: 95%