Basic information
- CAS
100098-21-3- Standard SMILES
C1CCN2CCCN(CC1)C2- InChIKey
XEBGLEVANPDBNO-UHFFFAOYSA-N- Molecular formula
- C9H18N2
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.14699858
Names & identifiers
- Preferred name
- 1,7-Diazabicyclo[5.3.1]undecane
- IUPAC
- 1,7-diazabicyclo[5.3.1]undecane
Names & synonyms
1,7-Diazabicyclo[5.3.1]undecane100098-21-31,7-Diazabicyclo(5.3.1)undecaneSCHEMBL13836229DTXSID201429311,7-Diazabicyclo[5.3.1]undecane (9CI)
Database identifiers
- CAS
100098-21-3- PubChem CID
- 145358
- DTXSID
DTXSID20142931
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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