Basic information
- CAS
67026-49-7- Standard SMILES
CC(C)C(N=C(NC#N)Nc1ccncc1)C(C)C- InChIKey
ZKULTGLIOSGMEG-UHFFFAOYSA-N- Molecular formula
- C14H21N5
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.17969569
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-(2,4-dimethyl-3-pentyl)-3-(4-pyridyl)-
- IUPAC
- 1-cyano-2-(2,4-dimethylpentan-3-yl)-3-pyridin-4-ylguanidine
Names & synonyms
BRN 0409379GUANIDINE, 2-CYANO-1-(2,4-DIMETHYL-3-PENTYL)-3-(4-PYRIDYL)-67026-49-72-Cyano-1-(1-isopropyl-2-methylpropyl)-3-(4-pyridyl)guanidineDTXSID60217258Guanidine, 2-cyano-1-(1-isopropyl-2-methylpropyl)-3-(4-pyridyl)-RefChem:346942DTXCID60139749CHEMBL86568N-Cyano-N''-(2,4-dimethylpentan-3-yl)-N'-(pyridin-4-yl)guanidine
Database identifiers
- CAS
67026-49-7- PubChem CID
- 48870
- DTXSID
DTXSID60217258- ChEMBL
CHEMBL86568- Nikkaji
- J78.468K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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