2BN
Summary
| Name: | (1R,4S)-2-AZABORNANE |
| Formula: | C9 H17 N |
| Formal charge: | 0 |
| Formula weight: | 139.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,4S)-1,7,7-trimethyl-2-azabicyclo[2.2.1]heptane |
| OpenEye OEToolkits | 1.5.0 | (1R,4S)-1,7,7-trimethyl-6-azabicyclo[2.2.1]heptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N2C1(CCC(C1(C)C)C2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)[C@@H]2CC[C@@]1(C)NC2 |
| SMILES | CACTVS | 3.341 | CC1(C)[CH]2CC[C]1(C)NC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1([C@@H]2CC[C@]1(NC2)C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C2CCC1(NC2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | OLTRGBMOWPXXIG-VXNVDRBHSA-N |
