[(2E)-but-2-en-1-yl](butan-2-yl)amine

• ChemBase ID: 308439
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C(=C\C)/CNC(CC)C
• Canonical SMILES: C/C=C/CNC(CC)C
• InChI: InChI=1S/C8H17N/c1-4-6-7-9-8(3)5-2/h4,6,8-9H,5,7H2,1-3H3/b6-4+
• InChIKey: VMAILCDGIOCXSV-GQCTYLIASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2E)-but-2-en-1-yl](butan-2-yl)amine
• IUPAC Traditional name: (2E)-but-2-en-1-yl(sec-butyl)amine
• Synonyms: (2E)-2-buten-1-yl(sec-butyl)amine

Database IDs

• CAS Number: 1212007-08-3
• MDL Number: MFCD12198441

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9988501
• LogD (pH = 7.4): -0.30782044
• Log P: 2.2209117
• Molar Refractivity: 43.221 cm^3
• Polarizability: 16.806469 Å^3
• Polar Surface Area: 12.03 Å^2