2-(3-Methylbutyl)pyrazine
PubChem CID: 521012
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| Compound Synonyms | 2-(3-methylbutyl)pyrazine, ISOAMYL PYRAZINE, 40790-22-5, 2-Isopentylpyrazine, 2-Isoamylpyrazine, 3-Methylbutylpyrazine, Isopentylpyrazine, isopentyl pyrazine, 2-Isopentylpyrazine #, Pyrazine, (3-methylbutyl), SCHEMBL1829926, ILKAUWPPPOYQHF-UHFFFAOYSA-N, AKOS006281473, AS-56715, CS-0136644, NS00113880, A12502, EN300-398854, Z1198147436 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-methylbutyl)pyrazine |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C9H14N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ILKAUWPPPOYQHF-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -0.866 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.447 |
| Compound Name | 2-(3-Methylbutyl)pyrazine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 150.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.116 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1362313636363637 |
| Inchi | InChI=1S/C9H14N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3 |
| Smiles | CC(C)CCC1=NC=CN=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients