Basic information
- Standard SMILES
Nc1ccc2c(c1)C1(OCCCO1)C1=NCCCN12- InChIKey
UATJRWNQSWBRJY-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- 3',4'-Dihydro-2'H-spiro[1,3-dioxane-2,10'-pyrimido[1,2-a]indol]-8'-amine
- IUPAC
- spiro[1,3-dioxane-2,10'-3,4-dihydro-2H-pyrimido[1,2-a]indole]-8'-amine
Names & synonyms
SCHEMBL5336673UATJRWNQSWBRJY-UHFFFAOYSA-N3',4'-Dihydro-2'H-spiro[1,3-dioxane-2,10'-pyrimido[1,2-a]indol]-8'-amine
Database identifiers
- PubChem CID
- 11680467
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 60.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
4 records
Compound notes
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