N-[(5S,7R)-2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-yl]hydroxylamine

• ChemBase ID: 220027
• Molecular Formular: C14H21N3O2
• Molecular Mass: 263.33544
• Monoisotopic Mass: 263.16337693
• SMILES: [C@]12([C@@H]([C@@]3(CN(C(N(C1)C3)c1occc1)C2)C)NO)C
• Canonical SMILES: ON[C@@H]1[C@]2(C)CN3C[C@@]1(C)CN(C2)C3c1ccco1
• InChI: InChI=1S/C14H21N3O2/c1-13-6-16-8-14(2,12(13)15-18)9-17(7-13)11(16)10-4-3-5-19-10/h3-5,11-12,15,18H,6-9H2,1-2H3/t11?,12-,13-,14+
• InChIKey: YKKZCZGVZJXOSV-PSRQZQCKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5S,7R)-2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-yl]hydroxylamine
• IUPAC Traditional name: N-[(1r,5R,6s,7S)-2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1^3,^7]decan-6-yl]hydroxylamine

Database IDs

• PubChem SID: 164275937
• PubChem CID: 17571887

CALCULATED PROPERTIES

• Acid pKa: 15.635289
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.60749197
• LogD (pH = 7.4): 1.048374
• Log P: 1.0581902
• Molar Refractivity: 81.9329 cm^3
• Polarizability: 28.619143 Å^3
• Polar Surface Area: 51.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds