2-(1H-indol-3-yl)-N,N-dimethylethanamine oxide
PubChem CID: 5316905
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| Compound Synonyms | Dimethyltryptamine-N-oxide, 948-19-6, 2-(1H-indol-3-yl)-N,N-dimethylethanamine oxide, N,N-dimethyl N-oxide-1H-indole-3-ethanamine, N,N-Dimethyltryptamine Oxide, N,N-Dimethyltryptamine N-oxide, N,N-Dimethyltryptamine N-oxide, N,N-dimethyl N-oxide-1H-indole-3-ethanamine, NN-DMT N-oxide, N,N-DMT N-oxide, GMX9BNT3VX, Dimethyltryptamine N-oxide, n,n-dimethyltryptamine-n-oxide, SCHEMBL5039561, CHEMBL1779164, DTXSID001024770, 3-(2-(Dimethylamino)ethyl)-1H-indole 1-oxide, 1H-Indole-3-ethanamine, N,N-dimethyl-, N-oxide, Q15410928, 889-259-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 33.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | [O-][N+]CCcc[nH]cc5cccc6)))))))))))C)C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Indoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 218.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1H-indol-3-yl)-N,N-dimethylethanamine oxide |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H16N2O |
| Scaffold Graph Node Bond Level | c1ccc2[nH]ccc2c1 |
| Inchi Key | FSRSWKRQDYWUFG-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | n,n-dimethyltryptamine-n-oxide |
| Esol Class | Soluble |
| Functional Groups | C[N+](C)(C)[O-], c[nH]c |
| Compound Name | 2-(1H-indol-3-yl)-N,N-dimethylethanamine oxide |
| Exact Mass | 204.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.126 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 204.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H16N2O/c1-14(2,15)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3 |
| Smiles | C[N+](C)(CCC1=CNC2=CC=CC=C21)[O-] |
| 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