C153H334N11O11+11 — CID 159624200
butyl-(2-cyclohexyloxyethyl)-ethyl-propylazanium;butyl-(2-cyclopentyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-propylazanium;2-cyclohexyloxyethyl-ethyl-dipropylazanium;2-cyclohexyloxyethyl(triethyl)azanium;2-cyclohexyloxyethyl(trimethyl)azanium;2-cyclopentyloxyethyl-ethyl-dipropylazanium;2-cyclopentyloxyethyl(triethyl)azanium;2-cyclopentyloxyethyl(trimethyl)azanium;ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-dipropylazanium;triethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium (PubChem CID 159624200) has the molecular formula C153H334N11O11+11 and a molecular weight of 2504.42 g/mol. Its IUPAC name is butyl-(2-cyclohexyloxyethyl)-ethyl-propylazanium;butyl-(2-cyclopentyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-propylazanium;2-cyclohexyloxyethyl-ethyl-dipropylazanium;2-cyclohexyloxyethyl(triethyl)azanium;2-cyclohexyloxyethyl(trimethyl)azanium;2-cyclopentyloxyethyl-ethyl-dipropylazanium;2-cyclopentyloxyethyl(triethyl)azanium;2-cyclopentyloxyethyl(trimethyl)azanium;ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-dipropylazanium;triethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium.
| Compound Name | butyl-(2-cyclohexyloxyethyl)-ethyl-propylazanium;butyl-(2-cyclopentyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-propylazanium;2-cyclohexyloxyethyl-ethyl-dipropylazanium;2-cyclohexyloxyethyl(triethyl)azanium;2-cyclohexyloxyethyl(trimethyl)azanium;2-cyclopentyloxyethyl-ethyl-dipropylazanium;2-cyclopentyloxyethyl(triethyl)azanium;2-cyclopentyloxyethyl(trimethyl)azanium;ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-dipropylazanium;triethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium |
|---|---|
| PubChem CID | 159624200 |
| Molecular Formula | C153H334N11O11+11 |
| Molecular Weight | 2504.42 g/mol |
| Exact Mass | 2502.59 |
| IUPAC Name | butyl-(2-cyclohexyloxyethyl)-ethyl-propylazanium;butyl-(2-cyclopentyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-propylazanium;2-cyclohexyloxyethyl-ethyl-dipropylazanium;2-cyclohexyloxyethyl(triethyl)azanium;2-cyclohexyloxyethyl(trimethyl)azanium;2-cyclopentyloxyethyl-ethyl-dipropylazanium;2-cyclopentyloxyethyl(triethyl)azanium;2-cyclopentyloxyethyl(trimethyl)azanium;ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]-dipropylazanium;triethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]azanium |
| SMILES | CCCC[N+](CC)(CCC)CCOC(C)(C)C.CCCC[N+](CC)(CCC)CCOC1CCCC1.CCCC[N+](CC)(CCC)CCOC1CCCCC1.CCC[N+](CC)(CCC)CCOC(C)(C)C.CCC[N+](CC)(CCC)CCOC1CCCC1.CCC[N+](CC)(CCC)CCOC1CCCCC1.CC[N+](CC)(CC)CCOC(C)(C)C.CC[N+](CC)(CC)CCOC1CCCC1.CC[N+](CC)(CC)CCOC1CCCCC1.C[N+](C)(C)CCOC1CCCC1.C[N+](C)(C)CCOC1CCCCC1 |
| InChI | InChI=1S/C17H36NO.2C16H34NO.C15H32NO.C15H34NO.C14H30NO.C14H32NO.C13H28NO.C12H28NO.C11H24NO.C10H22NO/c1-4-7-14-18(6-3,13-5-2)15-16-19-17-11-9-8-10-12-17;1-4-12-17(6-3,13-5-2)14-15-18-16-10-8-7-9-11-16;1-4-7-13-17(6-3,12-5-2)14-15-18-16-10-8-9-11-16;1-4-11-16(6-3,12-5-2)13-14-17-15-9-7-8-10-15;1-7-10-12-16(9-3,11-8-2)13-14-17-15(4,5)6;1-4-15(5-2,6-3)12-13-16-14-10-8-7-9-11-14;1-7-10-15(9-3,11-8-2)12-13-16-14(4,5)6;1-4-14(5-2,6-3)11-12-15-13-9-7-8-10-13;1-7-13(8-2,9-3)10-11-14-12(4,5)6;1-12(2,3)9-10-13-11-7-5-4-6-8-11;1-11(2,3)8-9-12-10-6-4-5-7-10/h17H,4-16H2,1-3H3;2*16H,4-15H2,1-3H3;15H,4-14H2,1-3H3;7-14H2,1-6H3;14H,4-13H2,1-3H3;7-13H2,1-6H3;13H,4-12H2,1-3H3;7-11H2,1-6H3;11H,4-10H2,1-3H3;10H,4-9H2,1-3H3/q11*+1 |
| InChIKey | MOGVQNSAQXTVPX-UHFFFAOYSA-N |
| XLogP | 35.68 |
| TPSA | 101.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 83 |
| Heavy Atoms | 175 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2504.42 |
| LogP ≤ 5 | 35.68 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'} |
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