6-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-6-oxohexane-1,5-diaminium | SBID = 1998 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 5.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C10H23N5O3++
M / g/mol: 261.0
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 6-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-6-oxohexane-1,5-diaminium
  • Preferred Abbreviation: 6-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-6-oxohexane-1,5-diaminium
  • IUPAC Name:
  • CAS:
  • CID: -853
  • InChiKey: VLPZWKKPNPQHOB-UHFFFAOYSA-P
  • InChi: InChI=1S/C10H21N5O3/c11-4-2-1-3-7(12)10(18)15-6-9(17)14-5-8(13)16/h7H,1-6,11-12H2,(H2,13,16)(H,14,17)(H,15,18)/p+2
  • CanoSmiles: [NH3+]CCCCC([NH3+])C(NCC(NCC(N)=O)=O)=O
  • IsoSmiles: [NH3+]CCCCC([NH3+])C(NCC(NCC(N)=O)=O)=O