Dataset
![molecular Image]()
Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine
Chemical Info
| InChI | InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 |
|---|---|
| SMILES | C1CCNCC1 |
| InChI Key | NQRYJNQNLNOLGT-UHFFFAOYSA-N |
| Molecular Formula | C5H11N |
| Exact Mass | 85.150 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS032304 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:19:54.140373 |
| MetadataModified | 2025-02-09T19:05:46.081948 |
| MetadataPublished | 2009-02-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C01746 | KEGG Ligand |
| CHEMBL15487 | ChEMBL |
| PIP | PDBe |
| 18049 | ChEBI |
| ITOBAU | CCDC |
| CB2355016 | ChemicalBook |
| J2.884C | Nikkaji |
| 5477 | Guide to Pharmacology |
| ZINC000001529277 | ZINC |
| DTXSID6021165 | EPA CompTox Dashboard |
| PIPERIDINE | clinicaltrials |
| 50026449 | BindingDB |
| 8082 | PubChem |
| PD047579 | ProbesDrugs |
| 14747353 | PubChem: Thomson Pharma |
| 110-89-4 | ACToR |
| 67I85E138Y | FDA SRS |
| 477538 | eMolecules |
| MCULE-4094049864 | Mcule |
| SCHEMBL427 | SureChEMBL |
| 10008705 | NMRShiftDB |
| 9351 | Brenda |
| HMDB0034301 | Human Metabolome Database |
| MTBLC18049 | Metabolights |
| The data in this table is sourced from UniChem at EBI. | |