| Pubchem ID | 96025565 |
|---|---|
| CAS | 68606-83-7 |
| IUPAC name | (1S)-1-cyclopent-3-en-1-yl-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline |
| Synonyms | - |
| Categories | Color |
| SMILES | CC1=C2CCNC(C2=C(C=C1)C)C3CC=CC3 |
| InCheykey | InChI=1S/C16H21N/c1-11-7-8-12(2)15-14(11)9-10-17-16(15)13-5-3-4-6-13/h3-4,7-8,13,16-17H,5-6,9-10H2,1-2H3/t16-/m0/s1 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 227.351 | 1 | 1 | 1 | 12.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | Very High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Non-Degradable |