Molecule ID: 135760586

IUPAC Name: nan

Description: The molecule is a member of the class of guanidines that is agmatine in which one of the methylene hydrogens adjacent to the primary amino group has been replaced by an allenyl group. It has a role as a Brassica napus metabolite and an EC 4.1.1.19 (arginine decarboxylase) inhibitor. It is a member of guanidines, a primary amino compound and a member of allenes. It derives from an agmatine.

SMILES: C=C=CC(N)CCCNC(=N)N

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

InChI: InChI=1S/C8H16N4/c1-2-4-7(9)5-3-6-12-8(10)11/h4,7H,1,3,5-6,9H2,(H4,10,11,12)

Molecular Properties:
- Polar Surface Area: 87.9 Ų
- LogP: -0.9