6S7
Summary
| Name: | 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-N,N-dimethylethanamine |
| Synonyms: | 2-[5-[(1~{R},5~{S})-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyridin-3-yl]oxy-~{N},~{N}-dimethyl-ethanamine |
| Formula: | C16 H26 N4 O |
| Formal charge: | 0 |
| Formula weight: | 290.404 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[5-[(1~{R},5~{S})-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyridin-3-yl]oxy-~{N},~{N}-dimethyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H26N4O/c1-19(2)3-4-21-16-6-15(9-18-10-16)20-11-13-5-14(12-20)8-17-7-13/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3/t13-,14+ |
| InChIKey | InChI | 1.03 | YXMGPQOPWMCEQM-OKILXGFUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCOc1cncc(c1)N2C[C@H]3CNC[C@H](C3)C2 |
| SMILES | CACTVS | 3.385 | CN(C)CCOc1cncc(c1)N2C[CH]3CNC[CH](C3)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CN(C)CCOc1cc(cnc1)N2C[C@@H]3C[C@H](C2)CNC3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CN(C)CCOc1cc(cnc1)N2CC3CC(C2)CNC3 |
