1K7
Summary
| Name: | (1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine |
| Formula: | C13 H20 N2 |
| Formal charge: | 0 |
| Formula weight: | 204.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2/c14-12(8-11-9-13(11)15)7-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t11-,12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | DRGBFDMHSWJTDJ-UPJWGTAASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CCc1ccccc1)C[C@@H]2C[C@@H]2N |
| SMILES | CACTVS | 3.370 | N[CH](CCc1ccccc1)C[CH]2C[CH]2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CCC(CC2CC2N)N |
