((Dimethylamino)methyl)ferrocene | SBID = 463 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 3.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C13H17FeN | ||
| M / g/mol: | 243.13 | ||
| Complexity: | 133.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: metallocene, cation, typical guest, charged
- Name: ((Dimethylamino)methyl)ferrocene
- Preferred Abbreviation: ((Dimethylamino)methyl)ferrocene
- IUPAC Name: cyclopenta-1,3-diene;1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine;iron(2+)
- CAS:
- CID: 102082
- InChiKey: ISDNRMKSXGICTM-UHFFFAOYSA-N
- InChi: InChI=1S/C8H12N.C5H5.Fe/c1-9(2)7-8-5-3-4-6-8;1-2-4-5-3-1;/h3-6H,7H2,1-2H3;1-5H;/q2*-1;+2
- CanoSmiles: CN(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2]
- IsoSmiles: CN(C)CC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2]
