5-Methyltryptamine
PubChem CID: 15760
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| Compound Synonyms | 5-Methyltryptamine, 1821-47-2, 2-(5-methyl-1H-indol-3-yl)ethanamine, 5-Methyl-3-(aminoethyl)indole, 1H-Indole-3-ethanamine, 5-methyl-, 2-(5-methyl-1H-indol-3-yl)ethan-1-amine, INDOLE, 3-(AMINOETHYL)-5-METHYL-, CHEMBL331241, 1H-Indole-3-ethanamine, 5-methyl, 2-(5-Methyl-1H-indol-3-yl)-ethylamine, 2-(5-methyl-1~{H}-indol-3-yl)ethanamine, NSC 90805, 5-metyltryptamine, 1H-Indole-3-ethanamine,5-methyl-, Tryptamine, 5-methyl, 5-methylpydidin-2-ol, Maybridge3_000089, 5-Methyl-tryptamine, 10, Oprea1_689228, CBDivE_014095, SCHEMBL1129793, DTXSID10171250, CHEBI:125675, HMS1431E01, ALBB-018681, NSC90805, BBL022747, BDBM50073691, NSC-90805, PDSP1_000762, PDSP1_001118, PDSP2_000750, PDSP2_001102, STK352130, AKOS000546310, SDCCGMLS-0065817.P001, IDI1_011476, 2-(5-Methyl-1H-indol-3-yl)ethylamine, NCGC00332134-01, PD093943, 2-(5-Methyl-1H-indol-3-yl)ethylamine #, DB-004001, D87934, EN300-223449, AB01326088-02, AE-848/01581059, L001229, BRD-K93859331-001-01-0, Q27216286, CVW |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | NCCcc[nH]cc5ccC)cc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Tryptamines and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-methyl-1H-indol-3-yl)ethanamine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14N2 |
| Scaffold Graph Node Bond Level | c1ccc2[nH]ccc2c1 |
| Inchi Key | PYOUAIQXJALPKW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 5-methyltryptamine |
| Esol Class | Very soluble |
| Functional Groups | CN, c[nH]c |
| Compound Name | 5-Methyltryptamine |
| Exact Mass | 174.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.116 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 174.24 |
| 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/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 |
| Smiles | CC1=CC2=C(C=C1)NC=C2CCN |
| 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 Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075