N,N,N-trimethyltryptamine
CNP0596323.0 · [C13H19N2]+ · View on COCONUT ↗
Identifiers
| Name | N,N,N-trimethyltryptamine |
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| IUPAC Name | 2-(1~{H}-indol-3-yl)ethyl-trimethyl-ammonium |
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| COCONUT ID | CNP0596323.0 |
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| InChIKey | GSEZLPZNHGYZRC-UHFFFAOYSA-N |
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| InChI | InChI=1S/C13H19N2/c1-15(2,3)9-8-11-10-14-13-7-5-4-6-12(11)13/h4-7,10,14H,8-9H2,1-3H3/q+1 |
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| SMILES | C[N+](C)(C)CCC1=CNC2=CC=CC=C12 |
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Properties
| Molecular Formula | [C13H19N2]+ |
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| Molecular Weight | 203.31 |
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| Exact Mass | 203.15428 |
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| Log P (ALogP) | 2.42 |
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| TPSA | 15.79 |
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| H-Bond Donors / Acceptors | 1 / 0 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.74 |
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| NP-likeness | 0.45 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Tryptophan alkaloids |
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| NP Class | Simple indole alkaloids |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Indoles and derivatives |
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| Chemical Subclass | Indoles |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
