2-(2,2-dimethyloxan-4-yl)ethan-1-amine

• ChemBase ID: 813484
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C(CC1CC(OCC1)(C)C)N
• Canonical SMILES: NCCC1CCOC(C1)(C)C
• InChI: InChI=1S/C9H19NO/c1-9(2)7-8(3-5-10)4-6-11-9/h8H,3-7,10H2,1-2H3
• InChIKey: YNLARGKXFPRJJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-dimethyloxan-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,2-dimethyloxan-4-yl)ethanamine
• Synonyms: 2-(2,2-DIMETHYLOXAN-4-YL)ETHAN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.16372
• LogD (pH = 7.4): -1.7389115
• Log P: 0.8600946
• Molar Refractivity: 46.9473 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%