C235H331N25O — CID 159257612
N,N-bis(pyridin-2-ylmethyl)octadecan-1-amine;4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(4,6-dimethyl-2-pyridinyl)-4,6-dimethylpyridine;dipyridin-2-ylmethanone;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;4-nonan-5-yl-2,6-bis(4-nonan-5-yl-2-pyridinyl)pyridine;4-nonan-5-yl-2-(4-nonan-5-yl-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)octadecan-1-amine;2-(pyridin-2-ylmethyl)pyridine;2-pyridin-2-ylpyridine (PubChem CID 159257612) has the molecular formula C235H331N25O and a molecular weight of 3522.41 g/mol. Its IUPAC name is N,N-bis(pyridin-2-ylmethyl)octadecan-1-amine;4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(4,6-dimethyl-2-pyridinyl)-4,6-dimethylpyridine;dipyridin-2-ylmethanone;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;4-nonan-5-yl-2,6-bis(4-nonan-5-yl-2-pyridinyl)pyridine;4-nonan-5-yl-2-(4-nonan-5-yl-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)octadecan-1-amine;2-(pyridin-2-ylmethyl)pyridine;2-pyridin-2-ylpyridine.
| Compound Name | N,N-bis(pyridin-2-ylmethyl)octadecan-1-amine;4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(4,6-dimethyl-2-pyridinyl)-4,6-dimethylpyridine;dipyridin-2-ylmethanone;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;4-nonan-5-yl-2,6-bis(4-nonan-5-yl-2-pyridinyl)pyridine;4-nonan-5-yl-2-(4-nonan-5-yl-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)octadecan-1-amine;2-(pyridin-2-ylmethyl)pyridine;2-pyridin-2-ylpyridine |
|---|---|
| PubChem CID | 159257612 |
| Molecular Formula | C235H331N25O |
| Molecular Weight | 3522.41 g/mol |
| Exact Mass | 3519.66 |
| IUPAC Name | N,N-bis(pyridin-2-ylmethyl)octadecan-1-amine;4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;2-(4,6-dimethyl-2-pyridinyl)-4,6-dimethylpyridine;dipyridin-2-ylmethanone;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;4-nonan-5-yl-2,6-bis(4-nonan-5-yl-2-pyridinyl)pyridine;4-nonan-5-yl-2-(4-nonan-5-yl-2-pyridinyl)pyridine;4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine;N-(2-pyridin-2-ylethyl)-N-(pyridin-2-ylmethyl)octadecan-1-amine;2-(pyridin-2-ylmethyl)pyridine;2-pyridin-2-ylpyridine |
| SMILES | CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CCCCC(CCCC)c1ccnc(-c2cc(C(CCCC)CCCC)cc(-c3cc(C(CCCC)CCCC)ccn3)n2)c1.CCCCC(CCCC)c1ccnc(-c2cc(C(CCCC)CCCC)ccn2)c1.CCCCCCCCCCCCCCCCCCN(CCc1ccccn1)Cc1ccccn1.CCCCCCCCCCCCCCCCCCN(Cc1ccccn1)Cc1ccccn1.CCCCCCCCCc1ccnc(-c2cc(CCCCCCCCC)ccn2)c1.Cc1cc(C)nc(-c2cc(C)cc(C)n2)c1.Cc1ccc(-c2ccc(C)cn2)nc1.O=C(c1ccccn1)c1ccccn1.c1ccc(-c2ccccn2)nc1.c1ccc(Cc2ccccn2)nc1 |
| InChI | InChI=1S/C42H65N3.C31H51N3.C30H49N3.2C28H44N2.C18H24N2.C14H16N2.C12H12N2.C11H8N2O.C11H10N2.C10H8N2/c1-7-13-19-33(20-14-8-2)36-25-27-43-39(29-36)41-31-38(35(23-17-11-5)24-18-12-6)32-42(45-41)40-30-37(26-28-44-40)34(21-15-9-3)22-16-10-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-34(29-31-23-18-20-26-33-31)28-24-30-22-17-19-25-32-30;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-33(27-29-22-17-19-24-31-29)28-30-23-18-20-25-32-30;1-5-9-13-23(14-10-6-2)25-17-19-29-27(21-25)28-22-26(18-20-30-28)24(15-11-7-3)16-12-8-4;1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-9-5-11(3)15-13(7-9)14-8-10(2)6-12(4)16-14;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;1-3-7-12-10(5-1)9-11-6-2-4-8-13-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10/h25-35H,7-24H2,1-6H3;17-20,22-23,25-26H,2-16,21,24,27-29H2,1H3;17-20,22-25H,2-16,21,26-28H2,1H3;17-24H,5-16H2,1-4H3;19-24H,3-18H2,1-2H3;7-12H,1-6H3;5-8H,1-4H3;3-8H,1-2H3;1-8H;1-8H,9H2;1-8H |
| InChIKey | KWCDNEAYMLGQJX-UHFFFAOYSA-N |
| XLogP | 65.72 |
| TPSA | 320.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 106 |
| Heavy Atoms | 261 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3522.41 |
| LogP ≤ 5 | 65.72 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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