Basic information
- CAS
60560-38-5- Standard SMILES
N#CNC(=NC1CCCCCCC1)Nc1ccncc1- InChIKey
CTKDDIUHAMTXOQ-UHFFFAOYSA-N- Molecular formula
- C15H21N5
- Average molar mass
- 271.36 g/mol
- Monoisotopic mass
- 271.17969569
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-cyclooctyl-3-(4-pyridyl)-
- IUPAC
- 1-cyano-2-cyclooctyl-3-pyridin-4-ylguanidine
- English name
- 2-Cyano-1-cyclooctyl-3-(4-pyridyl)guanidine
- Molecular formula
- C15H21N5
- Molecular weight
- 271.36
Names & synonyms
2-Cyano-1-cyclooctyl-3-(4-pyridyl)guanidine60560-38-5BRN 0425130GUANIDINE, 2-CYANO-1-CYCLOOCTYL-3-(4-PYRIDYL)-DTXSID40209358RefChem:346961DTXCID60131849CHEMBL87213SCHEMBL11160817SCHEMBL11160819DB-313879N-Cyano-N''-cyclooctyl-N'-(pyridin-4-yl)guanidine
Show more names
Guanidine, N-cyano-N'-cyclooctyl-N''-4-pyridinyl-
Database identifiers
- CAS
60560-38-5- PubChem CID
- 43355
- DTXSID
DTXSID40209358- ChEMBL
CHEMBL87213- Nikkaji
- J78.461C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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