N-1-isopropyltryptamine   Click here for help

GtoPdb Ligand ID: 159

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 30.95
Molecular weight 202.15
XLogP 2.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1cn(c2c1cccc2)C(C)C
Isomeric SMILES NCCc1cn(c2c1cccc2)C(C)C
InChI InChI=1S/C13H18N2/c1-10(2)15-9-11(7-8-14)12-5-3-4-6-13(12)15/h3-6,9-10H,7-8,14H2,1-2H3
InChI Key ARHHZLRATAUACE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(1-propan-2-ylindol-3-yl)ethanamine
Database Links Click here for help
GtoPdb PubChem SID 135650393
PubChem CID 5115445
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