AXJ
Summary
| Name: | [(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol |
| Formula: | C15 H25 N O |
| Formal charge: | 0 |
| Formula weight: | 235.365 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R})-1-[[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]pyrrolidin-2-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H25NO/c1-15(2)12-6-5-11(14(15)8-12)9-16-7-3-4-13(16)10-17/h5,12-14,17H,3-4,6-10H2,1-2H3/t12-,13+,14-/m0/s1 |
| InChIKey | InChI | 1.03 | MTWNYZLGPQWNAM-MJBXVCDLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)[C@H]2CC=C(CN3CCC[C@@H]3CO)[C@@H]1C2 |
| SMILES | CACTVS | 3.385 | CC1(C)[CH]2CC=C(CN3CCC[CH]3CO)[CH]1C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1([C@H]2CC=C([C@@H]1C2)CN3CCC[C@@H]3CO)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C2CC=C(C1C2)CN3CCCC3CO)C |
