Caffeidine
AlkaPlorer ID: AK001627
Synonym: None
IUPAC Name: N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide
Structure
SMILES: CNC1=C(N(C=N1)C)C(=O)NC
InChI: InChI=1S/C7H12N4O/c1-8-6-5(7(12)9-2)11(3)4-10-6/h4,8H,1-3H3,(H,9,12)
InChIKey: FNYXJOYPHLKLRW-UHFFFAOYSA-N
Reference
Camellimidazole A–C, Three Methylene-Bridged Dimeric Imidazole Alkaloids from Keemun Black Tea
PubChem CID: 159880
CAS: 20041-90-1
Source
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Properties Information
Molecule Weight: 168.20000000000002
TPSA？: 58.95
MolLogP？: -0.1786000000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
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