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

• ChemBase ID: 188200
• Molecular Formular: C14H25N3O
• Molecular Mass: 251.3678
• Monoisotopic Mass: 251.19976244
• SMILES: [C@]12(/C(=N/O)/[C@]3(CN(C1)CN(C3)C2)CCC)CCC
• Canonical SMILES: CCC[C@]12CN3CN(C1)C[C@](/C/2=N\O)(C3)CCC
• InChI: InChI=1S/C14H25N3O/c1-3-5-13-7-16-9-14(6-4-2,12(13)15-18)10-17(8-13)11-16/h18H,3-11H2,1-2H3/b15-12-/t13-,14+
• InChIKey: SODCXBADPBCBCL-KTHFHOGMSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244110
• PubChem CID: 933756

CALCULATED PROPERTIES

• Acid pKa: 11.305251
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.26151955
• LogD (pH = 7.4): 2.3447032
• Log P: 2.7632456
• Molar Refractivity: 72.6956 cm^3
• Polarizability: 28.801058 Å^3
• Polar Surface Area: 39.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds