Molecule ID: 2164

IUPAC Name: 5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione

Description: The molecule is a member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties.

SMILES: CCC1(CCC(C)C)C(O)=NC(=O)N=C1O

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

InChI: InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

Molecular Properties:
- Polar Surface Area: 75.3 Ų
- LogP: 2.1