Basic information
- CAS
61589-03-5- Standard SMILES
Ic1ccc(N2CCC3(CCCCC3)C2)cc1- InChIKey
NNBJOWRLWSFEOI-UHFFFAOYSA-N- Molecular formula
- C15H20IN
- Average molar mass
- 341.23 g/mol
- Monoisotopic mass
- 341.06405
Names & identifiers
- Preferred name
- 2-Azaspiro[4.5]decane, 2-(4-iodophenyl)-
- IUPAC
- 2-(4-iodophenyl)-2-azaspiro[4.5]decane
Names & synonyms
2-Azaspiro[4.5]decane, 2-(4-iodophenyl)-61589-03-52-(4-IODOPHENYL)-2-AZASPIRO[4.5]DECANEDTXSID80485053
Database identifiers
- CAS
61589-03-5- PubChem CID
- 12292001
- DTXSID
DTXSID80485053
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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