C180H269N17O3S — CID 158085395
4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylpyridin-2-amine;4-tert-butyl-2-ethylpyridine;4-tert-butyl-2-(2-methylpropyl)pyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-(methylsulfonylmethyl)pyridine;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)piperidine;bis(4-tert-butyl-2-piperidin-1-ylpyridine);4-tert-butyl-2-propylpyridine;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-tert-butylquinoline (PubChem CID 158085395) has the molecular formula C180H269N17O3S and a molecular weight of 2751.31 g/mol. Its IUPAC name is 4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylpyridin-2-amine;4-tert-butyl-2-ethylpyridine;4-tert-butyl-2-(2-methylpropyl)pyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-(methylsulfonylmethyl)pyridine;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)piperidine;bis(4-tert-butyl-2-piperidin-1-ylpyridine);4-tert-butyl-2-propylpyridine;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-tert-butylquinoline.
| Compound Name | 4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylpyridin-2-amine;4-tert-butyl-2-ethylpyridine;4-tert-butyl-2-(2-methylpropyl)pyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-(methylsulfonylmethyl)pyridine;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)piperidine;bis(4-tert-butyl-2-piperidin-1-ylpyridine);4-tert-butyl-2-propylpyridine;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-tert-butylquinoline |
|---|---|
| PubChem CID | 158085395 |
| Molecular Formula | C180H269N17O3S |
| Molecular Weight | 2751.31 g/mol |
| Exact Mass | 2749.11 |
| IUPAC Name | 4-tert-butyl-2-(cyclohexylmethyl)pyridine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-N,N-dimethylpyridin-2-amine;4-tert-butyl-2-ethylpyridine;4-tert-butyl-2-(2-methylpropyl)pyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-(methylsulfonylmethyl)pyridine;1-tert-butylnaphthalene;1-(3-tert-butylphenyl)piperidine;bis(4-tert-butyl-2-piperidin-1-ylpyridine);4-tert-butyl-2-propylpyridine;1-(4-tert-butyl-2-pyridinyl)-4-methylpiperazine;4-tert-butylquinoline |
| SMILES | CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1cccc(N2CCCCC2)c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CC(C)(C)c1ccnc(CS(C)(=O)=O)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)(C)c1ccnc(N2CCCCC2)c1.CC(C)(C)c1ccnc2ccccc12.CC(C)Cc1cc(C(C)(C)C)ccn1.CCCc1cc(C(C)(C)C)ccn1.CCc1cc(C(C)(C)C)ccn1.CN(C)c1cc(C(C)(C)C)ccn1.CN1CCN(c2cc(C(C)(C)C)ccn2)CC1.Cc1cc(C(C)(C)C)ccn1 |
| InChI | InChI=1S/C16H25N.C15H23N.C14H23N3.2C14H22N2.C14H16.C13H15N.C13H21N.C12H19N.C12H16O.C11H18N2.C11H17NO2S.C11H17N.C10H15N/c1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-8-7-9-14(12-13)16-10-5-4-6-11-16;1-14(2,3)12-5-6-15-13(11-12)17-9-7-16(4)8-10-17;2*1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-10(2)8-12-9-11(6-7-14-12)13(3,4)5;1-5-6-11-9-10(7-8-13-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)9-6-7-12-10(8-9)13(4)5;1-11(2,3)9-5-6-12-10(7-9)8-15(4,13)14;1-5-10-8-9(6-7-12-10)11(2,3)4;1-8-7-9(5-6-11-8)10(2,3)4/h9-10,12-13H,4-8,11H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;5-6,11H,7-10H2,1-4H3;2*7-8,11H,4-6,9-10H2,1-3H3;4-10H,1-3H3;4-9H,1-3H3;6-7,9-10H,8H2,1-5H3;7-9H,5-6H2,1-4H3;4-5,8H,6-7H2,1-3H3;6-8H,1-5H3;5-7H,8H2,1-4H3;6-8H,5H2,1-4H3;5-7H,1-4H3 |
| InChIKey | FNLJMWKDJGTNQB-UHFFFAOYSA-N |
| XLogP | 44.84 |
| TPSA | 204.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 201 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2751.31 |
| LogP ≤ 5 | 44.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |