PJG
Summary
| Name: | N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine |
| Formula: | C12 H22 N2 |
| Formal charge: | 0 |
| Formula weight: | 194.316 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine |
| OpenEye OEToolkits | 2.0.6 | ~{N}'-(1-adamantyl)ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C13(CC2CC(CC(C1)C2)C3)NCCN |
| InChI | InChI | 1.03 | InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2/t9-,10+,11-,12- |
| InChIKey | InChI | 1.03 | IQMUFNISQFPZJC-CDECOKDKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCNC12CC3CC(CC(C3)C1)C2 |
| SMILES | CACTVS | 3.385 | NCCNC12CC3CC(CC(C3)C1)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C2CC3CC1CC(C2)(C3)NCCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C2CC3CC1CC(C2)(C3)NCCN |
