DABCO   Click here for help

GtoPdb Ligand ID: 2577

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 6.48
Molecular weight 112.1
XLogP -0.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES C1CN2CCN1CC2
Isomeric SMILES C1CN2CCN1CC2
InChI InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
InChI Key IMNIMPAHZVJRPE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1,4-diazabicyclo[2.2.2]octane
Database Links Click here for help
CAS Registry No. 280-57-9 (source: NCI)
ChEMBL Ligand CHEMBL3183414
GtoPdb PubChem SID 135650154
PubChem CID 9237
Search Google for chemical match using the InChIKey IMNIMPAHZVJRPE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IMNIMPAHZVJRPE
Search UniChem for chemical match using the InChIKey IMNIMPAHZVJRPE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IMNIMPAHZVJRPE
Wikipedia DABCO