Benzyl tetra aza adamantane | SBID = 2644 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 9.72
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.79
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C13H19N4+
M / g/mol: 231.31676
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: Benzyl tetra aza adamantane
  • Preferred Abbreviation: (3r,5r,7r)-1-benzyl-1,3,5,7-tetraazaadamantan-1-ium
  • IUPAC Name:
  • CAS:
  • CID: -1183
  • InChiKey: ZEBQXLTZNFGHKI-UHFFFAOYSA-N
  • InChi: InChI=1S/C13H19N4/c1-2-4-13(5-3-1)6-17-10-14-7-15(11-17)9-16(8-14)12-17/h1-5H,6-12H2/q+1
  • CanoSmiles: c1ccc(cc1)C[N+]12C[N@@]3C[N@](C2)C[N@](C1)C3
  • IsoSmiles: [N@@]12C[N@](C3)C[N+](C[N@]3C2)(CC4=CC=CC=C4)C1