2-Pentylquinoline
Basic information
- CAS
93005-16-4- Standard SMILES
CCCCCc1ccc2ccccc2n1- InChIKey
GMTGCIAJHZEUNB-UHFFFAOYSA-N- Molecular formula
- C14H17N
- Average molar mass
- 199.29 g/mol
- Monoisotopic mass
- 199.13609955
Overview
2-Pentylquinoline has been reported in Angostura bracteata with data available.
Names & identifiers
- Preferred name
- 2-Pentylquinoline
- IUPAC
- 2-pentylquinoline
Names & synonyms
2-Pentylquinoline93005-16-4Quinoline, 2-pentylAmylchinolinSCHEMBL860157CHEMBL170722SCHEMBL1977035SCHEMBL9479707DTXSID50239242GMTGCIAJHZEUNB-UHFFFAOYSA-NAKOS006321316
Database identifiers
- CAS
93005-16-4- PubChem CID
- 185231
- DTXSID
DTXSID50239242- ChEMBL
CHEMBL170722- Nikkaji
- J282.860J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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