4-[(dibutylamino)methyl]aniline

• ChemBase ID: 120660
• Molecular Formular: C15H26N2
• Molecular Mass: 234.38034
• Monoisotopic Mass: 234.20959884
• SMILES: N(Cc1ccc(N)cc1)(CCCC)CCCC
• Canonical SMILES: CCCCN(Cc1ccc(cc1)N)CCCC
• InChI: InChI=1S/C15H26N2/c1-3-5-11-17(12-6-4-2)13-14-7-9-15(16)10-8-14/h7-10H,3-6,11-13,16H2,1-2H3
• InChIKey: ZGKOPGXHDDXHGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(dibutylamino)methyl]aniline
• IUPAC Traditional name: 4-[(dibutylamino)methyl]aniline
• Synonyms: 4-((dibutylamino)methyl)aniline

Database IDs

• PubChem SID: 162215013
• PubChem CID: 1891813

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.24564174
• LogD (pH = 7.4): 0.9467715
• Log P: 3.7335145
• Molar Refractivity: 77.0483 cm^3
• Polarizability: 29.63165 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 2