3,3-dimethylbutan-1-aminium | SBID = 2514 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 35.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.37
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: C6H16N+
M / g/mol: 102.19794
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 3,3-dimethylbutan-1-aminium
  • Preferred Abbreviation: 3,3-dimethylbutan-1-aminium
  • IUPAC Name:
  • CAS:
  • CID: -1093
  • InChiKey: GPWHFPWZAPOYNO-UHFFFAOYSA-O
  • InChi: InChI=1S/C6H15N/c1-6(2,3)4-5-7/h4-5,7H2,1-3H3/p+1
  • CanoSmiles: [NH3+]CCC(C)(C)C
  • IsoSmiles: CC(C)(C)CC[N+]([H])([H])[H]