1,3,5-tris(propan-2-yl)-1,3,5-triazinane

• ChemBase ID: 122869
• Molecular Formular: C12H27N3
• Molecular Mass: 213.36288
• Monoisotopic Mass: 213.22049788
• SMILES: N1(CN(CN(C1)C(C)C)C(C)C)C(C)C
• Canonical SMILES: CC(N1CN(CN(C1)C(C)C)C(C)C)C
• InChI: InChI=1S/C12H27N3/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h10-12H,7-9H2,1-6H3
• InChIKey: FBXRCTMIDHCRDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-tris(propan-2-yl)-1,3,5-triazinane
• IUPAC Traditional name: 1,3,5-triisopropyl-1,3,5-triazinane
• Synonyms: 1,3,5-triisopropyl-1,3,5-triazinane

Database IDs

• PubChem SID: 162217222
• PubChem CID: 25374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9951572
• LogD (pH = 7.4): 2.684347
• Log P: 2.7063854
• Molar Refractivity: 65.988 cm^3
• Polarizability: 26.71709 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true