3IZ
Summary
| Name: | (2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine |
| Formula: | C12 H27 N O4 |
| Formal charge: | 0 |
| Formula weight: | 249.347 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H27NO4/c1-10(13)7-16-12(3)9-17-11(2)8-15-6-5-14-4/h10-12H,5-9,13H2,1-4H3/t10-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | JAVLCTSZYWYEEE-IJLUTSLNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOC[C@@H](C)OC[C@@H](C)OC[C@@H](C)N |
| SMILES | CACTVS | 3.385 | COCCOC[CH](C)OC[CH](C)OC[CH](C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CO[C@H](C)CO[C@H](C)COCCOC)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(COC(C)COC(C)COCCOC)N |
