45N
Summary
| Name: | N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine |
| OpenEye OEToolkits | 1.9.2 | N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1c2ccc(cc2OC1)CNC3CCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2 |
| InChIKey | InChI | 1.03 | LOYZMUZNAPZSOX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCC(C1)NCc2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.385 | C1CCC(C1)NCc2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1CNC3CCCC3)OCO2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1CNC3CCCC3)OCO2 |
