Cyclohexyl isocyanide
| Internal ID | cc6bbdcb-cb52-400a-893f-67916bdca1fb |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Organic isocyanides |
| IUPAC Name | isocyanocyclohexane |
| SMILES (Canonical) | [C-]#[N+]C1CCCCC1 |
| SMILES (Isomeric) | [C-]#[N+]C1CCCCC1 |
| InChI | InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2 |
| InChI Key | XYZMOVWWVXBHDP-UHFFFAOYSA-N |
| Popularity | 475 references in papers |
| Molecular Formula | C7H11N |
| Molecular Weight | 109.17 g/mol |
| Exact Mass | 109.089149355 g/mol |
| Topological Polar Surface Area (TPSA) | 4.40 Ų |
| XlogP | 1.70 |
| 931-53-3 |
| Isocyanocyclohexane |
| Cyclohexane, isocyano- |
| Cyclohexylisocyanide |
| Cyclohexaneisonitrile |
| Cyclohexyl isonitrile |
| N-Cyclohexylisocyanide |
| NSC-60128 |
| CYI |
| cyclohexylisonitrile |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 86.63% | 99.29% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.41% | 99.18% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.24% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.30% | 94.78% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 82.04% | 98.57% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.72% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.06% | 97.25% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Lespedeza juncea |
| PubChem | 79129 |
| LOTUS | LTS0072817 |
| wikiData | Q105002388 |