tert-butyl ((1S,2R,3R,5S)-5-(3-aminopyridin-4-yl)-2-ethoxy-3-methylcyclohexyl)carbamate
Basic information
- Standard SMILES
CCO[C@@H]1[C@H](C)C[C@H](c2ccncc2N)C[C@@H]1NC(=O)OC(C)(C)C- InChIKey
ZPSHDPOADWGHFX-OSRSDYAFSA-N- Molecular formula
- C19H31N3O3
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.23654186
Names & identifiers
- Preferred name
- tert-butyl ((1S,2R,3R,5S)-5-(3-aminopyridin-4-yl)-2-ethoxy-3-methylcyclohexyl)carbamate
- IUPAC
- tert-butyl N-[(1S,2R,3R,5S)-5-(3-amino-4-pyridinyl)-2-ethoxy-3-methylcyclohexyl]carbamate
Names & synonyms
SCHEMBL15588817ZPSHDPOADWGHFX-OSRSDYAFSA-Ntert-butyl ((1S,2R,3R,55)-5-(3-aminopyridin-4-yl)-2-ethoxy-3-methylcyclohexyl)carbamatetert-butyl ((1S,2R,3R,5S)-5-(3-aminopyridin-4-yl)-2-ethoxy-3-methylcyclohexyl)carbamate
Database identifiers
- PubChem CID
- 86705258
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Related reactions
1 records
Compound notes
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