N-[(1R,9E)-1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene]hydroxylamine

• ChemBase ID: 188449
• Molecular Formular: C15H19N3O
• Molecular Mass: 257.33086
• Monoisotopic Mass: 257.15281224
• SMILES: [C@@]12(/C(=N/O)/C3CN(C1)CCN(C2)C3)c1ccccc1
• Canonical SMILES: O/N=C/1\C2CN3C[C@]1(CN(C2)CC3)c1ccccc1
• InChI: InChI=1S/C15H19N3O/c19-16-14-12-8-17-6-7-18(9-12)11-15(14,10-17)13-4-2-1-3-5-13/h1-5,12,19H,6-11H2/b16-14+/t12?,15-
• InChIKey: DIPMHPMCLVEYHJ-XGKJXMHCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,9E)-1-phenyl-3,6-diazatricyclo[4.3.1.1^3,^8]undecan-9-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1R,3R,9E)-1-phenyl-3,6-diazatricyclo[4.3.1.1^3,^8]undecan-9-ylidene]hydroxylamine

Database IDs

• PubChem SID: 164244359
• PubChem CID: 6536878

CALCULATED PROPERTIES

• Acid pKa: 11.067642
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5903556
• LogD (pH = 7.4): 0.13573518
• Log P: 1.4526597
• Molar Refractivity: 75.0761 cm^3
• Polarizability: 29.188469 Å^3
• Polar Surface Area: 39.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds