KWK
Summary
| Name: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine |
| Formula: | C15 H22 N2 |
| Formal charge: | 0 |
| Formula weight: | 230.349 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H22N2/c1-12(2)7-9-16-10-8-13-11-17-15-6-4-3-5-14(13)15/h3-6,11-12,16-17H,7-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | LNPTWYDXPVIVFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCNCCc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | CC(C)CCNCCc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CCNCCc1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCNCCc1c[nH]c2c1cccc2 |
