Indole-5-carbonitrile, 3-(diethylaminomethyl)-
Basic information
- CAS
101831-73-6- Standard SMILES
CCN(CC)Cc1c[nH]c2ccc(C#N)cc12- InChIKey
JYMRXQIKDFQBFP-UHFFFAOYSA-N- Molecular formula
- C14H17N3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.14224756
Names & identifiers
- Preferred name
- Indole-5-carbonitrile, 3-(diethylaminomethyl)-
- IUPAC
- 3-(diethylaminomethyl)-1H-indole-5-carbonitrile
Names & synonyms
5-Cyano-3-diethylaminomethyl indoleINDOLE-5-CARBONITRILE, 3-(DIETHYLAMINOMETHYL)-3-(Diethylamino)methylindole-5-carbonitrile101831-73-6DTXSID00144216RefChem:349340DTXCID40667073-[(diethylamino)methyl]-1h-indole-5-carbonitrile
Database identifiers
- CAS
101831-73-6- PubChem CID
- 58928
- DTXSID
DTXSID00144216
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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