NO4
Summary
| Name: | N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine |
| Formula: | C15 H21 N |
| Formal charge: | 0 |
| Formula weight: | 215.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | 2-(cyclohexen-1-yl)-~{N}-(phenylmethyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)CNCCC=2CCCCC=2 |
| InChI | InChI | 1.03 | InChI=1S/C15H21N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h2,5-7,9-10,16H,1,3-4,8,11-13H2 |
| InChIKey | InChI | 1.03 | RTJNHLXWVAXRBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCC(=CC1)CCNCc2ccccc2 |
| SMILES | CACTVS | 3.385 | C1CCC(=CC1)CCNCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCC2=CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNCCC2=CCCCC2 |
