dimethyltryptamine   

GtoPdb Ligand ID: 141

Abbreviated name: DMT
Synonyms: N,N-dimethyltryptamine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 19.03
Molecular weight 188.13
XLogP 2.04
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN(CCc1c[nH]c2c1cccc2)C
Isomeric SMILES CN(CCc1c[nH]c2c1cccc2)C
InChI InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChI Key DMULVCHRPCFFGV-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-(1H-indol-3-yl)-N,N-dimethylethanamine
Synonyms
N,N-dimethyltryptamine
Database Links
BindingDB Ligand 50026868
CAS Registry No. 61-50-7
ChEBI CHEBI:28969
ChEMBL Ligand CHEMBL12420
DrugBank Ligand DB01488
GtoPdb PubChem SID 135650188
PubChem CID 6089
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Wikipedia Dimethyltryptamine