Basic information
- CAS
52854-12-3- Standard SMILES
CCCCCCCC(=O)Nc1ncnc2nc[nH]c12- InChIKey
BCHNDUIHZPOJOY-UHFFFAOYSA-N- Molecular formula
- C13H19N5O
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.15896025
Names & identifiers
- Preferred name
- N-(7H-purin-6-yl)octanamide
- IUPAC
- N-(7H-purin-6-yl)octanamide
Names & synonyms
N-(7H-purin-6-yl)octanamide52854-12-3N6-octanoyladenineAdenine, N-octanoyl-N-OctanoyladenineSCHEMBL7052321SCHEMBL7052324DTXSID90398362BCHNDUIHZPOJOY-UHFFFAOYSA-NNSC123850NSC-123850
Database identifiers
- CAS
52854-12-3- PubChem CID
- 3979822
- DTXSID
DTXSID90398362- Nikkaji
- J3.487.952D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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