Molecule ID: 2227

IUPAC Name: 2-[4-(diaminomethylideneamino)butyl]guanidine

Description: The molecule is a guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions. It is a conjugate base of a 1,4-diguanidiniumylbutane. It derives from a hydride of a butane.

SMILES: N=C(N)NCCCCNC(=N)N

SELFIES: [N][=C][Branch1][C][N][N][C][C][C][C][N][C][=Branch1][C][=N][N]

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)

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -2.2