Basic information
- Standard SMILES
Cl.N=C(Nc1ccccc1I)NC12CC3CC(CC(C3)C1)C2- InChIKey
GENLXORCJWOREW-UHFFFAOYSA-N- Molecular formula
- C17H23ClIN3
- Average molar mass
- 431.7 g/mol
- Monoisotopic mass
- 431.06252
Names & identifiers
- Preferred name
- N-(Adamantan-1-yl)-N'-(2-iodophenyl)guanidine HCl
- IUPAC
- 2-(1-adamantyl)-1-(2-iodophenyl)guanidine;hydrochloride
Names & synonyms
CHEMBL553896SCHEMBL8874234GENLXORCJWOREW-UHFFFAOYSA-NN-(Adamantan-1-yl)-N'-(2-iodophenyl)guanidine HClN-(Adamantan-l-yl)-N'-(2-iodophenyl)guanidine HCl
Database identifiers
- PubChem CID
- 14771665
Properties
Computed structural properties
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Related reactions
6 records
Compound notes
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