Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-

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Basic information

CAS: 101831-75-8
Standard SMILES: N#Cc1ccc2[nH]cc(CCN3CCCCCC3)c2c1
InChIKey: TUZGICCELXBYRK-UHFFFAOYSA-N
Molecular formula: C17H21N3
Average molar mass: 267.37 g/mol
Monoisotopic mass: 267.17354768

Names & identifiers

Preferred name: Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-
IUPAC: 3-[2-(azepan-1-yl)ethyl]-1H-indole-5-carbonitrile

Names & synonyms

5-Cyano-3-hexamethyleneiminoethyl indoleINDOLE-5-CARBONITRILE, 3-(HEXAHYDRO-1H-AZEPINYLETHYL)-3-(Hexahydro-1H-azepinylethyl)-5-indolecarbonitrile101831-75-8DTXSID20144218RefChem:349342DTXCID40667093-[2-(azepan-1-yl)ethyl]-1H-indole-5-carbonitrile

Database identifiers

CAS: 101831-75-8
PubChem CID: 58930
DTXSID: DTXSID20144218

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 42.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 350

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Compound notes

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