Dimethyltryptamine methiodide
PubChem CID: 44719452
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dimethyltryptamine methiodide, N,N-Dimethyltryptamine methiodide, UNII-4H30M4UCL5, 4H30M4UCL5, N,N-Dimethyltryptamine methiodide [MI], (2-Indol-3-ylethyl)trimethylammonium iodide, 13558-34-4, Ammonium, (2-indol-3-ylethyl)trimethyl-, iodide, 1H-Indole-3-ethanaminium, N,N,N-trimethyl-, iodide, DTXSID50159471, DTXCID1081962, SCHEMBL25169821, N,N,N-Trimethyltryptamine iodide, FT184379, Q27259581 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 15.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | C[N+]CCcc[nH]cc5cccc6)))))))))))C)C.[I-] |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Tryptamines and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1H-indol-3-yl)ethyl-trimethylazanium, iodide |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H19IN2 |
| Scaffold Graph Node Bond Level | c1ccc2[nH]ccc2c1 |
| Inchi Key | UODGYRMDUSUFFD-UHFFFAOYSA-M |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | n-n-dimethyltryptamine methiodide |
| Esol Class | Soluble |
| Functional Groups | C[N+](C)(C)C, [I-], c[nH]c |
| Compound Name | Dimethyltryptamine methiodide |
| Exact Mass | 330.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.059 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 330.21 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H19N2.HI/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, 1H/q+1, /p-1 |
| Smiles | C[N+](C)(C)CCC1=CNC2=CC=CC=C21.[I-] |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Multiflorum (Plant) Rel Props:Reference:ISBN:9770972795006