C181H310FN13O8 — CID 161024636
4-tert-butyl-2-methylpyrimidine;1-tert-butyl-3-phenylpiperidine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;N-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-ylmorpholine;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane (PubChem CID 161024636) has the molecular formula C181H310FN13O8 and a molecular weight of 2815.55 g/mol. Its IUPAC name is 4-tert-butyl-2-methylpyrimidine;1-tert-butyl-3-phenylpiperidine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;N-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-ylmorpholine;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane.
| Compound Name | 4-tert-butyl-2-methylpyrimidine;1-tert-butyl-3-phenylpiperidine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;N-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-ylmorpholine;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane |
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| PubChem CID | 161024636 |
| Molecular Formula | C181H310FN13O8 |
| Molecular Weight | 2815.55 g/mol |
| Exact Mass | 2813.42 |
| IUPAC Name | 4-tert-butyl-2-methylpyrimidine;1-tert-butyl-3-phenylpiperidine;N,2-dimethyl-N-(2-phenylethyl)propan-2-amine;5-ethyl-2,2-dimethylheptane;N-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene;7-[(2-methylpropan-2-yl)oxy]quinoline;1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine;N-propan-2-ylaniline;N-propan-2-ylcyclopropanamine;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-ylmorpholine;propan-2-yloxycyclohexane;4-propan-2-yloxycyclopentene;propan-2-yloxymethylcyclobutane;propan-2-yloxymethylcyclopentane |
| SMILES | CC(C)(C)N1CCCC(c2ccccc2)C1.CC(C)(C)OCc1ccccc1.CC(C)(C)Oc1ccc2cccnc2c1.CC(C)N1CCCc2ccccc21.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)NC1CC1.CC(C)Nc1ccccc1.CC(C)OC1CC=CC1.CC(C)OC1CCCCC1.CC(C)OCC1CCC1.CC(C)OCC1CCCC1.CC1CCN(C(C)C)C1.CCC(CC)CCC(C)(C)C.CN(CCc1ccccc1)C(C)(C)C.Cc1ccc(CCOC(C)(C)C)cc1.Cc1ccc(F)cc1CNC(C)(C)C.Cc1nccc(C(C)(C)C)n1 |
| InChI | InChI=1S/C15H23N.C13H15NO.C13H21N.C13H20O.C12H18FN.C12H17N.C11H16O.C11H24.C9H14N2.C9H13N.2C9H18O.C8H18N2.C8H17N.C8H16O.C8H14O.C7H15NO.C6H13N/c1-15(2,3)16-11-7-10-14(12-16)13-8-5-4-6-9-13;1-13(2,3)15-11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)14(4)11-10-12-8-6-5-7-9-12;1-11-5-7-12(8-6-11)9-10-14-13(2,3)4;1-9-5-6-11(13)7-10(9)8-14-12(2,3)4;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-11(2,3)12-9-10-7-5-4-6-8-10;1-6-10(7-2)8-9-11(3,4)5;1-7-10-6-5-8(11-7)9(2,3)4;1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-7-9-5-3-4-6-9;1-8(2)10-9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-4-8(3)6-9;1-7(2)9-6-8-4-3-5-8;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-5(2)7-6-3-4-6/h4-6,8-9,14H,7,10-12H2,1-3H3;4-9H,1-3H3;5-9H,10-11H2,1-4H3;5-8H,9-10H2,1-4H3;5-7,14H,8H2,1-4H3;3-4,6,8,10H,5,7,9H2,1-2H3;4-8H,9H2,1-3H3;10H,6-9H2,1-5H3;5-6H,1-4H3;3-8,10H,1-2H3;2*8-9H,3-7H2,1-2H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;7H,3-6H2,1-2H3;5-7H,3-4H2,1-2H3 |
| InChIKey | TYUZACVQCLFTTG-UHFFFAOYSA-N |
| XLogP | 45.04 |
| TPSA | 171.28 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2815.55 |
| LogP ≤ 5 | 45.04 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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