C211H430N14O21 — CID 159458861
1-ethyl-3-(propan-2-yloxymethyl)azetidine;1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;(3R)-1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;(3S)-1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;(3S)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;1-methyl-3-(propan-2-yloxymethyl)azetidine;hexakis((2-methylpropan-2-yl)oxymethylcyclopentane);2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine;3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine;(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine;(3S)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine;propan-2-yloxymethylcyclobutane;3-(propan-2-yloxymethyl)-1-prop-1-en-2-ylazetidine (PubChem CID 159458861) has the molecular formula C211H430N14O21 and a molecular weight of 3499.84 g/mol. Its IUPAC name is 1-ethyl-3-(propan-2-yloxymethyl)azetidine;1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;(3R)-1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;(3S)-1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;(3S)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;1-methyl-3-(propan-2-yloxymethyl)azetidine;hexakis((2-methylpropan-2-yl)oxymethylcyclopentane);2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine;3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine;(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine;(3S)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine;propan-2-yloxymethylcyclobutane;3-(propan-2-yloxymethyl)-1-prop-1-en-2-ylazetidine.
| Compound Name | 1-ethyl-3-(propan-2-yloxymethyl)azetidine;1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;(3R)-1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;(3S)-1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;(3S)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;1-methyl-3-(propan-2-yloxymethyl)azetidine;hexakis((2-methylpropan-2-yl)oxymethylcyclopentane);2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine;3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine;(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine;(3S)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine;propan-2-yloxymethylcyclobutane;3-(propan-2-yloxymethyl)-1-prop-1-en-2-ylazetidine |
|---|---|
| PubChem CID | 159458861 |
| Molecular Formula | C211H430N14O21 |
| Molecular Weight | 3499.84 g/mol |
| Exact Mass | 3497.30 |
| IUPAC Name | 1-ethyl-3-(propan-2-yloxymethyl)azetidine;1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;(3R)-1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;(3S)-1-ethyl-3-(propan-2-yloxymethyl)pyrrolidine;1-methyl-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine;(3R)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;(3S)-3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;1-methyl-3-(propan-2-yloxymethyl)azetidine;hexakis((2-methylpropan-2-yl)oxymethylcyclopentane);2-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine;3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine;(3R)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine;(3S)-1-methyl-3-(propan-2-yloxymethyl)pyrrolidine;1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine;propan-2-yloxymethylcyclobutane;3-(propan-2-yloxymethyl)-1-prop-1-en-2-ylazetidine |
| SMILES | C=C(C)N1CC(COC(C)C)C1.C=C(C)N1CCC(COC(C)(C)C)C1.C=C(C)N1CCCC1COC(C)(C)C.CC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCC1.CC(C)(C)OCCCN1CCC1.CC(C)OCC1CCC1.CC(C)OCC1CN(C)C1.CC(C)OC[C@@H]1CCN(C)C1.CC(C)OC[C@H]1CCN(C)C1.CCN1CC(COC(C)C)C1.CCN1CCC(COC(C)C)C1.CCN1CC[C@@H](COC(C)C)C1.CCN1CC[C@H](COC(C)C)C1.CN1CCC(COC(C)(C)C)C1.C[C@@H]1CCN(CCCOC(C)(C)C)C1.C[C@H]1CCN(CCCOC(C)(C)C)C1 |
| InChI | InChI=1S/2C12H23NO.2C12H25NO.C10H19NO.5C10H21NO.6C10H20O.3C9H19NO.C8H17NO.C8H16O/c1-10(2)13-7-6-11(8-13)9-14-12(3,4)5;1-10(2)13-8-6-7-11(13)9-14-12(3,4)5;2*1-11-6-8-13(10-11)7-5-9-14-12(2,3)4;1-8(2)11-5-10(6-11)7-12-9(3)4;1-10(2,3)12-8-9-5-6-11(4)7-9;1-10(2,3)12-9-5-8-11-6-4-7-11;3*1-4-11-6-5-10(7-11)8-12-9(2)3;6*1-10(2,3)11-8-9-6-4-5-7-9;2*1-8(2)11-7-9-4-5-10(3)6-9;1-4-10-5-9(6-10)7-11-8(2)3;1-7(2)10-6-8-4-9(3)5-8;1-7(2)9-6-8-4-3-5-8/h2*11H,1,6-9H2,2-5H3;2*11H,5-10H2,1-4H3;9-10H,1,5-7H2,2-4H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;3*9-10H,4-8H2,1-3H3;6*9H,4-8H2,1-3H3;3*8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3/t;;2*11-;;;;2*10-;;;;;;;;2*9-;;;/m..10...10.......10.../s1 |
| InChIKey | LUIGSFQTQHJOCO-RXEMBGCYSA-N |
| XLogP | 46.53 |
| TPSA | 239.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 246 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3499.84 |
| LogP ≤ 5 | 46.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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