| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:42:22 UTC |
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| Updated at | 2021-01-04 18:49:05 UTC |
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| CannabisDB ID | CDB005654 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-Ethylnornicotined |
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| Description | N-Ethylnornicotine or Ethylnornicotine is an ethylated derivative of nornicotine in which the ethyl group is substituted on the nitrogen of the pyrrolidine ring. It belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. Nornicotine is an alkaloid found in various plants such as Nicotiana and tobacco. N-Ethylnornicotine is a constituent of cannabis smoke and is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C11H16N2 |
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| Average Molecular Weight | 176.26 |
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| Monoisotopic Molecular Weight | 176.1313 |
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| IUPAC Name | 3-[(2S)-1-ethylpyrrolidin-2-yl]pyridine |
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| Traditional Name | 3-[(2S)-1-ethylpyrrolidin-2-yl]pyridine |
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| CAS Registry Number | 5979-92-0 |
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| SMILES | CCN1CCC[C@H]1C1=CN=CC=C1 |
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| InChI Identifier | InChI=1S/C11H16N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3/t11-/m0/s1 |
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| InChI Key | VXSLBTSUIZUVFX-NSHDSACASA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Pyrrolidinylpyridines |
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| Direct Parent | Pyrrolidinylpyridines |
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| Alternative Parents | |
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| Substituents | - Pyrrolidinylpyridine
- Alkaloid or derivatives
- Aralkylamine
- N-alkylpyrrolidine
- Heteroaromatic compound
- Pyrrolidine
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Amine
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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