5KK
Summary
| Name: | 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane |
| Formula: | C12 H30 N8 |
| Formal charge: | 0 |
| Formula weight: | 286.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane |
| OpenEye OEToolkits | 1.9.2 | 1,3,6,8,10,13,16,19-octazabicyclo[6.6.6]icosane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1N2CNCCNCN(CNCCN1)CNCCNC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H30N8/c1-2-14-8-20-11-17-5-3-15-9-19(7-13-1)10-16-4-6-18-12-20/h13-18H,1-12H2 |
| InChIKey | InChI | 1.03 | UUGRFRITTVBJHJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CNCN2CNCCNCN(CN1)CNCCNC2 |
| SMILES | CACTVS | 3.385 | C1CNCN2CNCCNCN(CN1)CNCCNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1CNCN2CNCCNCN(CN1)CNCCNC2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CNCN2CNCCNCN(CN1)CNCCNC2 |
