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Basic information
- Standard SMILES
O=[N+]([O-])c1ccccc1NCCC12CCCN1CCC2- InChIKey
AHHCXLBOXUCBRJ-UHFFFAOYSA-N- Molecular formula
- C15H21N3O2
- Average molar mass
- 275.35 g/mol
- Monoisotopic mass
- 275.16337692
Names & identifiers
- Preferred name
- N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitroaniline
- IUPAC
- N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-nitroaniline
Names & synonyms
SCHEMBL8967939AHHCXLBOXUCBRJ-UHFFFAOYSA-NL012918
Database identifiers
- PubChem CID
- 178115
- Nikkaji
- J856.042K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
4 records
Compound notes
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