A1CDR
Summary
| Name: | 1-(1-ethyl-1H-pyrrol-3-yl)methanamine |
| Formula: | C7 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 124.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(1-ethyl-1H-pyrrol-3-yl)methanamine |
| OpenEye OEToolkits | 3.1.0.0 | (1-ethylpyrrol-3-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NCc1ccn(CC)c1 |
| InChI | InChI | 1.06 | InChI=1S/C7H12N2/c1-2-9-4-3-7(5-8)6-9/h3-4,6H,2,5,8H2,1H3 |
| InChIKey | InChI | 1.06 | VWYWRMVYZDEIPA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1ccc(CN)c1 |
| SMILES | CACTVS | 3.385 | CCn1ccc(CN)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCn1ccc(c1)CN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCn1ccc(c1)CN |
