Molecule ID: 146026589

IUPAC Name: (6R,9S,11S)-2-amino-9,11-dimethyl-1,3-diazaspiro[5.5]undec-1-en-4-one

Description: The molecule is an azaspiro compound resulting from the spiro-fusion of 2-imino-1,3-diazinan-4-one at position 6 with 1,3-dimethylcyclohexane. It is a marine metabolite isolated from Vietnamese pufferfish Tetraodon biocellatus and a potential intermediate in the biosynthetic pathway leading to the synthesis of tetrodotoxin. It has a role as an animal metabolite and a marine metabolite. It is an azaspiro compound and an organic heterobicyclic compound.

SMILES: C[C@H]1CC[C@@]2(CC(O)=NC(=N)N2)[C@@H](C)C1

SELFIES: [C][C@H1][C][C][C@@][Branch1][=C][C][C][Branch1][C][O][=N][C][=Branch1][C][=N][N][Ring1][Branch2][C@@H1][Branch1][C][C][C][Ring1][=C]

InChI: InChI=1S/C11H19N3O/c1-7-3-4-11(8(2)5-7)6-9(15)13-10(12)14-11/h7-8H,3-6H2,1-2H3,(H3,12,13,14,15)/t7-,8-,11+/m0/s1

Molecular Properties:
- Polar Surface Area: 67.5 Ų
- LogP: 0.7