1,3,5-tripropyl-1,3,5-triazinane

• ChemBase ID: 122868
• Molecular Formular: C12H27N3
• Molecular Mass: 213.36288
• Monoisotopic Mass: 213.22049788
• SMILES: N1(CN(CN(C1)CCC)CCC)CCC
• Canonical SMILES: CCCN1CN(CCC)CN(C1)CCC
• InChI: InChI=1S/C12H27N3/c1-4-7-13-10-14(8-5-2)12-15(11-13)9-6-3/h4-12H2,1-3H3
• InChIKey: DPHBVWJGMBYPMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162217221
• PubChem CID: 83068

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.564549
• LogD (pH = 7.4): 3.0140688
• Log P: 3.0242274
• Molar Refractivity: 66.3036 cm^3
• Polarizability: 26.71709 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true