(Z)-N-[2-methyl-2-(octylamino)propylidene]hydroxylamine

• ChemBase ID: 181962
• Molecular Formular: C12H26N2O
• Molecular Mass: 214.34764
• Monoisotopic Mass: 214.20451346
• SMILES: N(=C\C(NCCCCCCCC)(C)C)\O
• Canonical SMILES: CCCCCCCCNC(/C=N\O)(C)C
• InChI: InChI=1S/C12H26N2O/c1-4-5-6-7-8-9-10-13-12(2,3)11-14-15/h11,13,15H,4-10H2,1-3H3/b14-11-
• InChIKey: IJHTYZGEVQVMDA-KAMYIIQDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-[2-methyl-2-(octylamino)propylidene]hydroxylamine
• IUPAC Traditional name: (Z)-N-[2-methyl-2-(octylamino)propylidene]hydroxylamine

Database IDs

• PubChem SID: 164237872
• PubChem CID: 5838248

CALCULATED PROPERTIES

• Acid pKa: 8.621497
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.21324414
• LogD (pH = 7.4): 1.6897776
• Log P: 2.7462773
• Molar Refractivity: 65.1591 cm^3
• Polarizability: 25.785433 Å^3
• Polar Surface Area: 44.62 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds