Basic information
- Standard SMILES
C#CCCCCCc1cn(C(=O)OC(C)(C)C)c(N)n1- InChIKey
FPGSQLKBGUEUQD-UHFFFAOYSA-N- Molecular formula
- C15H23N3O2
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.17902698
Names & identifiers
- Preferred name
- 2-Amino-4-hept-6-ynyl-imidazole-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-amino-4-hept-6-ynylimidazole-1-carboxylate
Names & synonyms
SCHEMBL1523161FPGSQLKBGUEUQD-UHFFFAOYSA-Ntert-butyl 2-amino-4-(hept-6-ynyl)-1h-imidazole-1-carboxylate2-amino-4-hept-6-ynyl-imidazole-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 53359534
- Nikkaji
- J2.960.094E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
95 records
Compound notes
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