Basic information
- CAS
101831-77-0- Standard SMILES
N#Cc1ccc2[nH]cc(CN3CCCCCCC3)c2c1- InChIKey
WUUZKFSRXVUYOB-UHFFFAOYSA-N- Molecular formula
- C17H21N3
- Average molar mass
- 267.37 g/mol
- Monoisotopic mass
- 267.17354768
Names & identifiers
- Preferred name
- 1H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-
- IUPAC
- 3-(azocan-1-ylmethyl)-1H-indole-5-carbonitrile
Names & synonyms
INDOLE-5-CARBONITRILE, 3-(HEXAHYDRO-1(2H)-AZOCINYLMETHYL)-101831-77-0DTXSID90144220RefChem:1058222DTXCID80667111H-Indole-5-carbonitrile, 3-((hexahydro-1(2H)-azocinyl)methyl)-5-Cyano-3-(heptamethyleneiminomethyl)indole3-(Hexahydro-1(2H)-azocinylmethyl)-5-indolecarbonitrile3-[(Azocan-1-yl)methyl]-1H-indole-5-carbonitrile
Database identifiers
- CAS
101831-77-0- PubChem CID
- 58932
- DTXSID
DTXSID90144220
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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