Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCOc1cccc2c(N)nccc12- InChIKey
HWWAMBZGHAJRAE-UHFFFAOYSA-N- Molecular formula
- C17H23N3O3
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- N-(tert-butoxycarbonyl)-3-[(1-amino-5-isoquinolyl)oxy]propylamine
- IUPAC
- tert-butyl N-[3-(1-aminoisoquinolin-5-yl)oxypropyl]carbamate
Names & synonyms
SCHEMBL5662541HWWAMBZGHAJRAE-UHFFFAOYSA-NN-(tert-butoxycarbonyl)-3-[(1-amino-5-isoquinolyl)oxy]-propylamineN-(tert-butoxycarbonyl)-3-[(1-amino-5-isoquinolyl)oxy]propylamine
Database identifiers
- PubChem CID
- 21979977
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Related reactions
2 records
Compound notes
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