N-(furan-3-ylmethyl)-2,2-dimethyloxan-4-amine

• ChemBase ID: 311165
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: c1(cocc1)CNC1CC(OCC1)(C)C
• Canonical SMILES: CC1(C)OCCC(C1)NCc1cocc1
• InChI: InChI=1S/C12H19NO2/c1-12(2)7-11(4-6-15-12)13-8-10-3-5-14-9-10/h3,5,9,11,13H,4,6-8H2,1-2H3
• InChIKey: UEGWBWOJOUKKNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-2,2-dimethyloxan-4-amine
• IUPAC Traditional name: N-(furan-3-ylmethyl)-2,2-dimethyloxan-4-amine
• Synonyms: N-(3-furylmethyl)-2,2-dimethyltetrahydro-2H-pyran-4-amine hydrochloride

Database IDs

• CAS Number: 759452-40-9
• MDL Number: MFCD01456344

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7829471
• LogD (pH = 7.4): -0.4642609
• Log P: 1.3301779
• Molar Refractivity: 59.3519 cm^3
• Polarizability: 23.408691 Å^3
• Polar Surface Area: 34.4 Å^2