butyl(butylidene)amine

• ChemBase ID: 285414
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N(=C\CCC)/CCCC
• Canonical SMILES: CCCC/N=C/CCC
• InChI: InChI=1S/C8H17N/c1-3-5-7-9-8-6-4-2/h7H,3-6,8H2,1-2H3
• InChIKey: GMYLJUMIAPOWOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(butylidene)amine
• IUPAC Traditional name: butyl(butylidene)amine
• Synonyms: butyl(butylidene)amine

Database IDs

• MDL Number: MFCD20731257
• PubChem SID: 180670945
• PubChem CID: 94840

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.836907
• LogD (pH = 7.4): 0.70738876
• Log P: 2.323379
• Molar Refractivity: 41.7736 cm^3
• Polarizability: 16.21841 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.077

Product Information

• Purity: 95%