5-[(6-Cyclohexylhexyl)oxy]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
Basic information
- CAS
693764-38-4- Standard SMILES
NC1=NC2(CCCCC2)N(OCCCCCCC2CCCCC2)C(N)=N1- InChIKey
CGTUAHWZLLVOAG-UHFFFAOYSA-N- Molecular formula
- C20H37N5O
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.29981082
Names & identifiers
- Preferred name
- 5-[(6-Cyclohexylhexyl)oxy]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
- IUPAC
- 5-(6-cyclohexylhexoxy)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
Names & synonyms
CHEMBL529430DTXSID8011391315-[(6-Cyclohexylhexyl)oxy]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine693764-38-4
Database identifiers
- CAS
693764-38-4- PubChem CID
- 44522901
- DTXSID
DTXSID801139131- ChEMBL
CHEMBL529430
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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