N-(furan-2-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine

• ChemBase ID: 16672
• Molecular Formular: C14H24N2O
• Molecular Mass: 236.35316
• Monoisotopic Mass: 236.1888634
• SMILES: C1C(CC(NC1(C)C)(C)C)NCc1ccco1
• Canonical SMILES: CC1(C)CC(NCc2ccco2)CC(N1)(C)C
• InChI: InChI=1S/C14H24N2O/c1-13(2)8-11(9-14(3,4)16-13)15-10-12-6-5-7-17-12/h5-7,11,15-16H,8-10H2,1-4H3
• InChIKey: MLCJEYPZOBAFBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2,2,6,6-tetramethylpiperidin-4-amine
• Synonyms: Furan-2-ylmethyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amine

Database IDs

• MDL Number: MFCD02921127
• PubChem SID: 160979979
• PubChem CID: 705885

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1860874
• LogD (pH = 7.4): -1.4579492
• Log P: 1.6299028
• Molar Refractivity: 69.9673 cm^3
• Polarizability: 27.937689 Å^3
• Polar Surface Area: 37.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false