N-Methyltryptamine
PubChem CID: 6088
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-Methyltryptamine, 61-49-4, 3-(2-Methylaminoethyl)indole, 2-(1H-Indol-3-yl)-N-methylethanamine, Dipterine, N-Monomethyltryptamine, Methyltryptamine, 1H-Indole-3-ethanamine, N-methyl-, N-OMEGA-METHYLTRYPTAMINE, 3-(2-(Methylamino)ethyl)indole, N-Methylindoleethylamine, N.omega.-methyltryptamine, UNII-6FRL4L3Z7V, INDOLE, 3-(2-(METHYLAMINO)ETHYL)-, dl-Methyltryptamine, EINECS 200-507-9, 6FRL4L3Z7V, BRN 0134134, (2-Indol-3-ylethyl)methylamine, CHEBI:28136, N-methyl-1H-indole-3-ethanamine, 1-Methyl-2-(3-indolyl)ethylamine, N(omega)-methyltryptamine, 2-(1H-indol-3-yl)-N-methyl-ethanamine, MLS000069493, DTXSID70209846, 5-22-10-00047 (Beilstein Handbook Reference), [2-(1H-indol-3-yl)ethyl](methyl)amine, SMR000059062, Nomega-methyltryptamine, (2-(1H-indol-3-yl)ethyl)(methyl)amine, n-methyl tryptamine, N-methyl-tryptamine, N-w-Methyltryptamine, Maybridge3_003310, cid_6088, Oprea1_433490, BIDD:GT0662, SCHEMBL379409, 3-(2-methylaminoethyl)-indole, CHEMBL348588, N-omega-Methyltryptamine, 99%, BDBM30701, DTXCID20132337, HMS1440G10, HMS2235A08, HMS3372P09, 3-(N-Methyl-2-amino-ethyl)-indole, CCG-56495, MFCD00005657, AKOS005203036, 2-(1H-indol-3-yl)ethyl-methyl-amine, FM64045, IDI1_014697, 2-(1H-indol-3-yl)-ethyl-methyl-amine, NCGC00018120-01, NCGC00018120-02, NCGC00018120-03, NCGC00018120-05, 1ST166061, DB-053906, NS00014895, C06213, Q308875, SR-01000000029-2, 1HU |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 27.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2C1 |
| Np Classifier Class | Simple indole alkaloids |
| Deep Smiles | CNCCcc[nH]cc5cccc6 |
| Heavy Atom Count | 13.0 |
| Pathway Kegg Map Id | map00380 |
| Classyfire Class | Indoles and derivatives |
| Description | N-Methyltryptamine (NMT), or monomethyltryptamine, is a tryptamine alkaloid that has been found in the bark, shoots and leaves of numerous plants. (wikipedia) N-Methyltryptamine was detected in urine from all autistic patients with mental retardation and epilepsy and many autistic patients (32/47) with mental retardation (PubMed ID 8747157 ) [HMDB] |
| Scaffold Graph Node Level | C1CCC2NCCC2C1 |
| Classyfire Subclass | Tryptamines and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O95050, P30994, B2RXH2, P42858, P08908, P00352, Q96KQ7, O89049, O94925, Q9NUW8, P23977, P31652, Q9WTR4, P28223, O42275 |
| Iupac Name | 2-(1H-indol-3-yl)-N-methylethanamine |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Tryptamines and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14N2 |
| Scaffold Graph Node Bond Level | c1ccc2[nH]ccc2c1 |
| Inchi Key | NCIKQJBVUNUXLW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 1-Methyl-2-(3-indolyl)ethylamine, 2-(1H-Indol-3-yl)-N-methylethanamine, 3-(2-(Methylamino)ethyl)indole, 3-(2-Methylaminoethyl)indole, Dipterine, dl-Methyltryptamine, Methyltryptamine, N-Methyl-1H-indole-3-ethanamine, N-Methylindoleethylamine, N-Monomethyltryptamine, N-omega-methyltryptamine, N(Omega)-methyltryptamine, 2-(1H-indol-3-yl)-N-Methylethanamine, 3-(2-(methylamino)Ethyl)indole, DL-Methyltryptamine, N-Omega-methyltryptamine, N-Methyltryptamine oxalate, N-Methyltryptamine hydrochloride, n(b)-methyltryptamine |
| Substituent Name | Tryptamine, Indole, Aralkylamine, Benzenoid, Substituted pyrrole, Heteroaromatic compound, Pyrrole, Azacycle, Secondary amine, Secondary aliphatic amine, Hydrocarbon derivative, Organonitrogen compound, Amine, Aromatic heteropolycyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CNC, c[nH]c |
| Compound Name | N-Methyltryptamine |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3 |
| Smiles | CNCCC1=CNC2=CC=CC=C21 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tryptamines and derivatives |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Limonia Acidissima (Plant) Rel Props:Reference:ISBN:9788171360536 - 2. Outgoing r'ship
FOUND_INto/from Limonia Elephantum (Plant) Rel Props:Reference:ISBN:9788172360818