N-ethyloxan-4-amine

• ChemBase ID: 308656
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1CCC(NCC)CC1
• Canonical SMILES: CCNC1CCOCC1
• InChI: InChI=1S/C7H15NO/c1-2-8-7-3-5-9-6-4-7/h7-8H,2-6H2,1H3
• InChIKey: MRBDURJWQDYZGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyloxan-4-amine
• IUPAC Traditional name: N-ethyloxan-4-amine
• Synonyms: N-ethyltetrahydro-2H-pyran-4-amine

Database IDs

• CAS Number: 211814-15-2
• MDL Number: MFCD06658446

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1087854
• LogD (pH = 7.4): -2.7193186
• Log P: 0.12511557
• Molar Refractivity: 37.9175 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2