N-(2,5-Dimethyl-1H-pyrrol-1-yl)-1-(pyridin-2-yl)ethan-1-imine
Basic information
- CAS
592528-56-8- Standard SMILES
CC(=Nn1c(C)ccc1C)c1ccccn1- InChIKey
SBCIXQHCTARCSE-UHFFFAOYSA-N- Molecular formula
- C13H15N3
- Average molar mass
- 213.28 g/mol
- Monoisotopic mass
- 213.12659749
Names & identifiers
- Preferred name
- N-(2,5-Dimethyl-1H-pyrrol-1-yl)-1-(pyridin-2-yl)ethan-1-imine
- IUPAC
- N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-2-ylethanimine
Names & synonyms
592528-56-8DTXSID30787195N-(2,5-Dimethyl-1H-pyrrol-1-yl)-1-(pyridin-2-yl)ethan-1-imine
Database identifiers
- CAS
592528-56-8- PubChem CID
- 71363682
- DTXSID
DTXSID30787195
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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