C192H288N34O4 — CID 158398774
2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;5-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;bis(2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 158398774) has the molecular formula C192H288N34O4 and a molecular weight of 3136.65 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;5-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;bis(2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.
| Compound Name | 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;5-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;bis(2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine |
|---|---|
| PubChem CID | 158398774 |
| Molecular Formula | C192H288N34O4 |
| Molecular Weight | 3136.65 g/mol |
| Exact Mass | 3134.34 |
| IUPAC Name | 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyridine;4-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;5-(azetidin-1-ylmethyl)-2-propan-2-ylpyridine;2-(azetidin-1-yl)-4-propan-2-ylpyridine;2-(azetidin-1-yl)-6-propan-2-ylpyridine;2-propan-2-ylpyrazine;4-[(5-propan-2-yl-2-pyridinyl)methyl]morpholine;4-[(6-propan-2-yl-3-pyridinyl)methyl]morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;bis(2-propan-2-yl-5-(pyrrolidin-1-ylmethyl)pyridine);2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)pyridine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine |
| SMILES | CC(C)c1cc(CN2CCC2)ccn1.CC(C)c1ccc(CN2CCC2)cn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCCC2)cn1.CC(C)c1ccc(CN2CCOCC2)cn1.CC(C)c1ccc(CN2CCOCC2)nc1.CC(C)c1cccc(CN2CCCC2)n1.CC(C)c1cccc(N2CCC2)n1.CC(C)c1cccc(N2CCCC2)n1.CC(C)c1cccc(N2CCOCC2)n1.CC(C)c1ccnc(CN2CCC2)c1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1 |
| InChI | InChI=1S/2C13H20N2O.3C13H20N2.2C12H18N2O.5C12H18N2.2C11H16N2.3C7H10N2/c1-11(2)12-3-4-13(14-9-12)10-15-5-7-16-8-6-15;1-11(2)13-4-3-12(9-14-13)10-15-5-7-16-8-6-15;1-11(2)13-7-5-6-12(14-13)10-15-8-3-4-9-15;2*1-11(2)13-6-5-12(9-14-13)10-15-7-3-4-8-15;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-10(2)11-4-3-5-12(13-11)14-6-8-15-9-7-14;1-10(2)11-4-5-13-12(8-11)9-14-6-3-7-14;1-10(2)12-8-11(4-5-13-12)9-14-6-3-7-14;1-10(2)12-5-4-11(8-13-12)9-14-6-3-7-14;1-10(2)11-6-5-7-12(13-11)14-8-3-4-9-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-9(2)10-5-3-6-11(12-10)13-7-4-8-13;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7/h2*3-4,9,11H,5-8,10H2,1-2H3;5-7,11H,3-4,8-10H2,1-2H3;2*5-6,9,11H,3-4,7-8,10H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;3-5,10H,6-9H2,1-2H3;3*4-5,8,10H,3,6-7,9H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3*3-6H,1-2H3 |
| InChIKey | GXVQMBZQAYNBSJ-UHFFFAOYSA-N |
| XLogP | 39.03 |
| TPSA | 340.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 230 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3136.65 |
| LogP ≤ 5 | 39.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 38 |