Molecule ID: 20627403

IUPAC Name: diaminomethylidene-[4-(diaminomethylideneazaniumyl)butyl]azanium

Description: The molecule is dication of 1,4-diguanidinobutane arising from deprotonation of both guanidino groups; major species at pH 7.3. It is a conjugate acid of a 1,4-diguanidinobutane.

SMILES: N=C(N)NCCCCNC(=[NH2+])[NH3+]

SELFIES: [N][=C][Branch1][C][N][N][C][C][C][C][N][C][=Branch1][C][=NH2+1][NH3+1]

InChI: InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)/p+2

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -2.2