N-ethyl-2,2-dimethyloxan-4-amine

• ChemBase ID: 308717
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(OCCC(C1)NCC)(C)C
• Canonical SMILES: CCNC1CCOC(C1)(C)C
• InChI: InChI=1S/C9H19NO/c1-4-10-8-5-6-11-9(2,3)7-8/h8,10H,4-7H2,1-3H3
• InChIKey: CHHKBQOLWAUFPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,2-dimethyloxan-4-amine
• IUPAC Traditional name: N-ethyl-2,2-dimethyloxan-4-amine
• Synonyms: (2,2-dimethyltetrahydro-2H-pyran-4-yl)ethylamine

Database IDs

• CAS Number: 1060817-65-3
• MDL Number: MFCD11054008

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4121006
• LogD (pH = 7.4): -2.03753
• Log P: 0.8222673
• Molar Refractivity: 46.9745 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2