dimethyl[2-methyl-2-(4,4,6-trimethyl-1,3-dioxan-2-yl)propyl]amine

• ChemBase ID: 182896
• Molecular Formular: C13H27NO2
• Molecular Mass: 229.35898
• Monoisotopic Mass: 229.20417911
• SMILES: C1(C(CN(C)C)(C)C)OC(CC(O1)C)(C)C
• Canonical SMILES: CN(CC(C1OC(C)CC(O1)(C)C)(C)C)C
• InChI: InChI=1S/C13H27NO2/c1-10-8-13(4,5)16-11(15-10)12(2,3)9-14(6)7/h10-11H,8-9H2,1-7H3
• InChIKey: ISIJXVZVUKMGND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-methyl-2-(4,4,6-trimethyl-1,3-dioxan-2-yl)propyl]amine
• IUPAC Traditional name: dimethyl[2-methyl-2-(4,4,6-trimethyl-1,3-dioxan-2-yl)propyl]amine

Database IDs

• PubChem SID: 164238806
• PubChem CID: 2828560

CALCULATED PROPERTIES

• Log P: 2.4558928
• Molar Refractivity: 66.8096 cm^3
• Polarizability: 26.855288 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.846991
• LogD (pH = 7.4): 0.62081236

PROPERTIES

Product Information

• Description: Diastereomers
• Classification: Rare Derivatives of Natural Compounds