Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-
Basic information
- CAS
101831-80-5- Standard SMILES
N#Cc1ccc2[nH]cc(CN3CCCCCCCC3)c2c1- InChIKey
GBMQMMJTCCZLQG-UHFFFAOYSA-N- Molecular formula
- C18H23N3
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.18919775
Names & identifiers
- Preferred name
- Indole-5-carbonitrile, 3-(octahydro-1H-azonin-1-ylmethyl)-
- IUPAC
- 3-(azonan-1-ylmethyl)-1H-indole-5-carbonitrile
Names & synonyms
5-Cyano-3-(octamethyleneiminomethyl)indoleINDOLE-5-CARBONITRILE, 3-(OCTAHYDRO-1H-AZONIN-1-YLMETHYL)-3-(Octahydro-1H-azonin-1-ylmethyl)-5-indolecarbonitrile101831-80-5DTXSID70144223RefChem:349345DTXCID30667143-[(azonan-1-yl)methyl]-1H-indole-5-carbonitrile
Database identifiers
- CAS
101831-80-5- PubChem CID
- 58935
- DTXSID
DTXSID70144223- Nikkaji
- J342.185F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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