2,2-Dimethylbutane
| Internal ID | 049f9c06-ac2f-4846-8f2c-b58907a55e96 |
| Taxonomy | Hydrocarbons > Saturated hydrocarbons > Alkanes > Branched alkanes |
| IUPAC Name | 2,2-dimethylbutane |
| SMILES (Canonical) | CCC(C)(C)C |
| SMILES (Isomeric) | CCC(C)(C)C |
| InChI | InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 |
| InChI Key | HNRMPXKDFBEGFZ-UHFFFAOYSA-N |
| Popularity | 933 references in papers |
| Molecular Formula | C6H14 |
| Molecular Weight | 86.18 g/mol |
| Exact Mass | 86.109550447 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 3.00 |
| Neohexane |
| 75-83-2 |
| Butane, 2,2-dimethyl- |
| HSDB 75 |
| CCRIS 6019 |
| 2,2-Dimethyl-butane |
| EINECS 200-906-8 |
| NSC 74126 |
| UNII-07L56L3MP2 |
| AI3-16043 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
10 nM 10 nM 10 nM |
Potency Potency Potency |
via CMAUP
via CMAUP via Super-PRED |
| CHEMBL1075138 | Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 |
5623.4 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.64% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.23% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.22% | 96.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Panax ginseng |
| PubChem | 6403 |
| NPASS | NPC131214 |
| ChEMBL | CHEMBL142735 |