(furan-2-ylmethyl)({[6-methyl-3-(prop-1-en-2-yl)oxan-2-yl]methyl})amine

• ChemBase ID: 185789
• Molecular Formular: C15H23NO2
• Molecular Mass: 249.34862
• Monoisotopic Mass: 249.17287898
• SMILES: O1C(C(C(=C)C)CCC1C)CNCc1occc1
• Canonical SMILES: CC1CCC(C(O1)CNCc1ccco1)C(=C)C
• InChI: InChI=1S/C15H23NO2/c1-11(2)14-7-6-12(3)18-15(14)10-16-9-13-5-4-8-17-13/h4-5,8,12,14-16H,1,6-7,9-10H2,2-3H3
• InChIKey: QFRCDAQAQCMDPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (furan-2-ylmethyl)({[6-methyl-3-(prop-1-en-2-yl)oxan-2-yl]methyl})amine
• IUPAC Traditional name: (furan-2-ylmethyl)({[6-methyl-3-(prop-1-en-2-yl)oxan-2-yl]methyl})amine

Database IDs

• PubChem SID: 164241699
• PubChem CID: 3651094

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.07437101
• LogD (pH = 7.4): 1.8070875
• Log P: 2.620489
• Molar Refractivity: 72.3701 cm^3
• Polarizability: 28.696003 Å^3
• Polar Surface Area: 34.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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