N-[(5s,7s)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ylidene]hydroxylamine

• ChemBase ID: 187493
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: [C@@]12(/C(=N/O)/[C@@]3(CN(C1)CN(C3)C2)C)C
• Canonical SMILES: O/N=C/1\[C@]2(C)CN3C[C@@]1(C)CN(C2)C3
• InChI: InChI=1S/C10H17N3O/c1-9-3-12-5-10(2,8(9)11-14)6-13(4-9)7-12/h14H,3-7H2,1-2H3/b11-8-/t9-,10+
• InChIKey: JHRKPNVDOPKCMX-IDIYWLFRSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243403
• PubChem CID: 535983

CALCULATED PROPERTIES

• Acid pKa: 11.180361
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.009098
• LogD (pH = 7.4): 0.33268425
• Log P: 0.98497105
• Molar Refractivity: 54.2916 cm^3
• Polarizability: 21.436209 Å^3
• Polar Surface Area: 39.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds