Guanidine, 2-cyano-1-(1-isopropyl-2-methylpropyl)-3-(3-pyridyl)-
Basic information
- CAS
67026-35-1- Standard SMILES
CC(C)C(N=C(NC#N)Nc1cccnc1)C(C)C- InChIKey
HGMSOOASNOMSJR-UHFFFAOYSA-N- Molecular formula
- C14H21N5
- Average molar mass
- 259.35 g/mol
- Monoisotopic mass
- 259.17969569
Names & identifiers
- Preferred name
- Guanidine, 2-cyano-1-(1-isopropyl-2-methylpropyl)-3-(3-pyridyl)-
- IUPAC
- 1-cyano-2-(2,4-dimethylpentan-3-yl)-3-pyridin-3-ylguanidine
Names & synonyms
BRN 0409358Guanidine, 2-cyano-1-(1-isopropyl-2-methylpropyl)-3-(3-pyridyl)-67026-35-12-Cyano-1-(1-isopropyl-2-methylpropyl)-3-(3-pyridyl)guanidineDTXSID40217251Guanidine, N-cyano-N'-(2-methyl-1-(1-methylethyl)propyl)-N''-3-pyridinyl-RefChem:346941DTXCID40139742CHEMBL313094N-Cyano-N''-(2,4-dimethylpentan-3-yl)-N'-(pyridin-3-yl)guanidine
Database identifiers
- CAS
67026-35-1- PubChem CID
- 3050752
- DTXSID
DTXSID40217251- ChEMBL
CHEMBL313094
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
- 331
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Compound notes
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