Molecule ID: 8249

IUPAC Name: 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine

Description: The molecule is a member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a 2-phenylethyl group. It was used as an anti-diabetic drug but was later withdrawn from the market due to potential risk of lactic acidosis. It has a role as an antineoplastic agent. It derives from a biguanide.

SMILES: N=C(N)NC(=N)NCCc1ccccc1

SELFIES: [N][=C][Branch1][C][N][N][C][=Branch1][C][=N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)

Molecular Properties:
- Polar Surface Area: 103.0 Ų
- LogP: -0.8