C104H221N9O12 — CID 157238464
2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 157238464) has the molecular formula C104H221N9O12 and a molecular weight of 1789.96 g/mol. Its IUPAC name is 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
| Compound Name | 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine |
|---|---|
| PubChem CID | 157238464 |
| Molecular Formula | C104H221N9O12 |
| Molecular Weight | 1789.96 g/mol |
| Exact Mass | 1788.70 |
| IUPAC Name | 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethanol;1-methyl-3-[(2-methylpropan-2-yl)oxy]azetidine;4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-methyl-4-[(2-methylpropan-2-yl)oxy]piperidine;1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine;2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propylamino]ethanol;(2-methylpropan-2-yl)oxymethylcyclohexane;(2-methylpropan-2-yl)oxymethylcyclopentane;2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine |
| SMILES | CC(C)(C)OCC1CCCC1.CC(C)(C)OCC1CCCCC1.CC(C)(C)OCC1CCCN1.CC1CCN(CCOC(C)(C)C)CC1.CCCN(CCO)CCOC(C)(C)C.CCN(CCO)CCOC(C)(C)C.CN1CC(OC(C)(C)C)C1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(OC(C)(C)C)CC1.CN1CCN(CCCOC(C)(C)C)CC1 |
| InChI | InChI=1S/C12H26N2O.C12H25NO.C11H25NO2.C11H23NO.C11H22O.C10H23NO2.C10H21NO.C10H20O.C9H19NO.C8H17NO/c1-12(2,3)15-11-5-6-14-9-7-13(4)8-10-14;1-11-5-7-13(8-6-11)9-10-14-12(2,3)4;1-5-6-12(7-9-13)8-10-14-11(2,3)4;1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-11(2,3)12-9-10-7-5-4-6-8-10;1-5-11(6-8-12)7-9-13-10(2,3)4;1-10(2,3)12-9-5-7-11(4)8-6-9;1-10(2,3)11-8-9-6-4-5-7-9;1-9(2,3)11-7-8-5-4-6-10-8;1-8(2,3)10-7-5-9(4)6-7/h5-11H2,1-4H3;11H,5-10H2,1-4H3;13H,5-10H2,1-4H3;10H,5-9H2,1-4H3;10H,4-9H2,1-3H3;12H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;7H,5-6H2,1-4H3 |
| InChIKey | AUXQVUMMSPLUPL-UHFFFAOYSA-N |
| XLogP | 19.68 |
| TPSA | 170.71 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 125 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1789.96 |
| LogP ≤ 5 | 19.68 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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