2-Pentylquinoline
PubChem CID: 185231
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| Compound Synonyms | 2-Pentylquinoline, Quinoline, 2-pentyl, 93005-16-4, Amylchinolin, 2-Pentyl-quinoline, 2-N-Pentylquinoleine, SCHEMBL860157, CHEMBL170722, DTXSID50239242, GMTGCIAJHZEUNB-UHFFFAOYSA-N, AKOS006321316 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-pentylquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C14H17N |
| Prediction Swissadme | 0.0 |
| Inchi Key | GMTGCIAJHZEUNB-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -4.959 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.995 |
| Compound Name | 2-Pentylquinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 199.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 199.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 199.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.114774733333333 |
| Inchi | InChI=1S/C14H17N/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15-13/h5-7,9-11H,2-4,8H2,1H3 |
| Smiles | CCCCCC1=NC2=CC=CC=C2C=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peperomia Pellucida (Plant) Rel Props:Source_db:npass_chem_all