| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:41:45 UTC |
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| Updated at | 2021-01-04 18:49:02 UTC |
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| CannabisDB ID | CDB005648 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-Methylanatabined |
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| Description | N-Methylanatabine, also known as (2S)-1-Methyl-1,2,3,6-tetrahydro-2,3'-bipyridine is a methylated derivative of anatabine. It belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. N-methylanatabine also belongs to the group of compounds known as bipyridines. Bipyridines are organic compounds containing two pyridine rings linked to each other. N-Methylanatabine exists as an oil and can be isolated from strongly basic fractions of crude nicotine. Its unmethylated parent compound, anatabine, is a minor alkaloid found in tobacco and tomato plants. Anatabine is also found in the urine of smokers and smokeless tobacco users (PubMed ID 8245163). Anatabine is a known inhibitor of human cytochrome P-450 2A6 (PubMed ID 14757175). N-Methylanatabine is also found in 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 | C11H14N2 |
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| Average Molecular Weight | 174.25 |
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| Monoisotopic Molecular Weight | 174.1157 |
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| IUPAC Name | (2S)-1-methyl-1,2,3,6-tetrahydro-2,3'-bipyridine |
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| Traditional Name | (2S)-1-methyl-3,6-dihydro-2H-2,3'-bipyridine |
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| CAS Registry Number | 5953-51-5 |
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| SMILES | CN1CC=CC[C@H]1C1=CN=CC=C1 |
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| InChI Identifier | InChI=1S/C11H14N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h2-5,7,9,11H,6,8H2,1H3/t11-/m0/s1 |
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| InChI Key | ATWWUVUOWMJMTM-NSHDSACASA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Amines |
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| Direct Parent | Aralkylamines |
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| Alternative Parents | |
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| Substituents | - Aralkylamine
- Pyridine
- Hydropyridine
- Heteroaromatic compound
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- 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 | | 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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