Basic information
- Standard SMILES
Cn1c(=O)c2c(ncn2CCCNCCc2c[nH]c3ccccc23)n(C)c1=O- InChIKey
LBIBJLCFOUSSEN-UHFFFAOYSA-N- Molecular formula
- C20H24N6O2
- Average molar mass
- 380.4 g/mol
Names & identifiers
- Preferred name
- N-[3-(Theophyllin-7-yl)propyl]tryptamine
- IUPAC
- 7-[3-[2-(1H-indol-3-yl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione
Names & synonyms
SCHEMBL11186636LBIBJLCFOUSSEN-UHFFFAOYSA-NN-[3-(Theophyllin-7-yl)propyl]tryptamine
Database identifiers
- PubChem CID
- 13023328
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
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