SPJ
Summary
| Name: | (3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine |
| Synonyms: | bis-(3R,3'R)-methyl spermine |
| Formula: | C12 H30 N4 |
| Formal charge: | 0 |
| Formula weight: | 230.393 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,3'R)-N~1~,N~1~'-butane-1,4-diyldibutane-1,3-diamine |
| OpenEye OEToolkits | 1.5.0 | (3R)-N-[4-[[(3R)-3-aminobutyl]amino]butyl]butane-1,3-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | NC(CCNCCCCNCCC(N)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](N)CCNCCCCNCC[C@@H](C)N |
| SMILES | CACTVS | 3.341 | C[CH](N)CCNCCCCNCC[CH](C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](CCNCCCCNCC[C@@H](C)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCNCCCCNCCC(C)N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H30N4/c1-11(13)5-9-15-7-3-4-8-16-10-6-12(2)14/h11-12,15-16H,3-10,13-14H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | LXKFTCVCBKNJNM-VXGBXAGGSA-N |
