1,3,5-tributyl-1,3,5-triazinane

• ChemBase ID: 122870
• Molecular Formular: C15H33N3
• Molecular Mass: 255.44262
• Monoisotopic Mass: 255.26744807
• SMILES: N1(CN(CN(C1)CCCC)CCCC)CCCC
• Canonical SMILES: CCCCN1CN(CCCC)CN(C1)CCCC
• InChI: InChI=1S/C15H33N3/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h4-15H2,1-3H3
• InChIKey: OIQDTXAPPNRLAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-tributyl-1,3,5-triazinane
• IUPAC Traditional name: 1,3,5-tributyl-1,3,5-triazinane
• Synonyms: 1,3,5-tributyl-1,3,5-triazinane

Database IDs

• PubChem SID: 162217223
• PubChem CID: 83069

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9192462
• LogD (pH = 7.4): 4.348502
• Log P: 4.3579335
• Molar Refractivity: 80.1066 cm^3
• Polarizability: 32.25672 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true