Basic information
- CAS
63990-94-3- Standard SMILES
c1ccc2c(c1)CCNC2CC12CCC(CC3NCCc4ccccc43)(CC1)CC2- InChIKey
DDOXROFFXDWGCO-UHFFFAOYSA-N- Molecular formula
- C28H36N2
- Average molar mass
- 400.6 g/mol
- Monoisotopic mass
- 400.28784916
Names & identifiers
- Preferred name
- Bicyclo(2.2.2)octane, 1,4-bis(1,2,3,4-tetrahydroisoquinolylmethyl)-
- IUPAC
- 1-[[4-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1-bicyclo[2.2.2]octanyl]methyl]-1,2,3,4-tetrahydroisoquinoline
Names & synonyms
BICYCLO(2.2.2)OCTANE, 1,4-BIS(1,2,3,4-TETRAHYDROISOQUINOLYLMETHYL)-63990-94-31,4-Bis(1,2,3,4-tetrahydroisoquinolylmethyl)-1,4-bicyclo(2.2.2)octaneRefChem:329267DTXSID509817941,1'-[Bicyclo[2.2.2]octane-1,4-diylbis(methylene)]di-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- CAS
63990-94-3- PubChem CID
- 46212
- DTXSID
DTXSID50981794
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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