N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)oxan-4-amine

• ChemBase ID: 596377
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: N(Cc1ncccc1)(C1CCOCC1)CC=C
• Canonical SMILES: C=CCN(C1CCOCC1)Cc1ccccn1
• InChI: InChI=1S/C14H20N2O/c1-2-9-16(14-6-10-17-11-7-14)12-13-5-3-4-8-15-13/h2-5,8,14H,1,6-7,9-12H2
• InChIKey: IWAJGNWNKRCIFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)oxan-4-amine
• IUPAC Traditional name: N-(prop-2-en-1-yl)-N-(pyridin-2-ylmethyl)oxan-4-amine
• Synonyms: N-allyl-N-(pyridin-2-ylmethyl)tetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.8281425
• LogD (pH = 7.4): 0.90727574
• Log P: 1.470878
• Molar Refractivity: 69.5598 cm^3
• Polarizability: 27.261284 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.89
• LOG S: 0.63
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5