C181H381FN22O7 — CID 158728089
2-(2,2-dimethylpropyl)morpholine;3-(2,2-dimethylpropyl)morpholine;1-ethyl-4-(2-methylpropyl)piperidine;1-ethyl-2-(2-methylpropyl)pyrrolidine;3-fluoro-1-(3-methylbutyl)pyrrolidine;3-methoxy-1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;3-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-3-(3-methylbutyl)piperidine;4-methyl-2-(2-methylpropyl)morpholine;1-methyl-4-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;2-(2-methylpropyl)pyrrolidine (PubChem CID 158728089) has the molecular formula C181H381FN22O7 and a molecular weight of 2997.18 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)morpholine;3-(2,2-dimethylpropyl)morpholine;1-ethyl-4-(2-methylpropyl)piperidine;1-ethyl-2-(2-methylpropyl)pyrrolidine;3-fluoro-1-(3-methylbutyl)pyrrolidine;3-methoxy-1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;3-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-3-(3-methylbutyl)piperidine;4-methyl-2-(2-methylpropyl)morpholine;1-methyl-4-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;2-(2-methylpropyl)pyrrolidine.
| Compound Name | 2-(2,2-dimethylpropyl)morpholine;3-(2,2-dimethylpropyl)morpholine;1-ethyl-4-(2-methylpropyl)piperidine;1-ethyl-2-(2-methylpropyl)pyrrolidine;3-fluoro-1-(3-methylbutyl)pyrrolidine;3-methoxy-1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;3-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-3-(3-methylbutyl)piperidine;4-methyl-2-(2-methylpropyl)morpholine;1-methyl-4-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;2-(2-methylpropyl)pyrrolidine |
|---|---|
| PubChem CID | 158728089 |
| Molecular Formula | C181H381FN22O7 |
| Molecular Weight | 2997.18 g/mol |
| Exact Mass | 2995.01 |
| IUPAC Name | 2-(2,2-dimethylpropyl)morpholine;3-(2,2-dimethylpropyl)morpholine;1-ethyl-4-(2-methylpropyl)piperidine;1-ethyl-2-(2-methylpropyl)pyrrolidine;3-fluoro-1-(3-methylbutyl)pyrrolidine;3-methoxy-1-(3-methylbutyl)pyrrolidine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;4-(3-methylbutyl)piperazin-2-one;3-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-(3-methylbutyl)pyrrolidin-3-ol;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-3-(3-methylbutyl)piperidine;4-methyl-2-(2-methylpropyl)morpholine;1-methyl-4-(2-methylpropyl)piperidine;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;2-(2-methylpropyl)pyrrolidine |
| SMILES | CC(C)(C)CC1CNCCO1.CC(C)(C)CC1COCCN1.CC(C)CC1CCCN1.CC(C)CC1CCCN1C(C)C.CC(C)CC1CCN(C)CC1.CC(C)CC1CCNCC1.CC(C)CC1CN(C)CCO1.CC(C)CCC1CCCN(C)C1.CC(C)CCC1CCCNC1.CC(C)CCN1CCC(F)C1.CC(C)CCN1CCC(O)C1.CC(C)CCN1CCCC1.CC(C)CCN1CCN(C)CC1.CC(C)CCN1CCNC(=O)C1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CCN1CCC(CC(C)C)CC1.CCN1CCCC1CC(C)C.COC1CCN(CCC(C)C)C1 |
| InChI | InChI=1S/3C11H23N.C10H22N2.C10H21NO.3C10H21N.C9H18FN.C9H18N2O.C9H20N2.5C9H19NO.2C9H19N.C8H17N/c1-9(2)8-11-6-5-7-12(11)10(3)4;1-10(2)6-7-11-5-4-8-12(3)9-11;1-4-12-7-5-11(6-8-12)9-10(2)3;1-10(2)4-5-12-8-6-11(3)7-9-12;1-9(2)4-6-11-7-5-10(8-11)12-3;1-9(2)8-10-4-6-11(3)7-5-10;1-9(2)5-6-10-4-3-7-11-8-10;1-4-11-7-5-6-10(11)8-9(2)3;1-8(2)3-5-11-6-4-9(10)7-11;1-8(2)3-5-11-6-4-10-9(12)7-11;1-9(2)3-6-11-7-4-10-5-8-11;1-9(2,3)6-8-7-11-5-4-10-8;1-9(2,3)6-8-7-10-4-5-11-8;1-8(2)6-9-7-10(3)4-5-11-9;1-8(2)3-5-10-6-4-9(11)7-10;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)7-9-3-5-10-6-4-9;1-9(2)5-8-10-6-3-4-7-10;1-7(2)6-8-4-3-5-9-8/h9-11H,5-8H2,1-4H3;2*10-11H,4-9H2,1-3H3;10H,4-9H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-11H,3-8H2,1-2H3;9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8H,3-7H2,1-2H3,(H,10,12);9-10H,3-8H2,1-2H3;2*8,10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8-9,11H,3-7H2,1-2H3;9H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3;9H,3-8H2,1-2H3;7-9H,3-6H2,1-2H3 |
| InChIKey | IKTJZGHICDECBZ-UHFFFAOYSA-N |
| XLogP | 34.85 |
| TPSA | 216.26 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 211 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2997.18 |
| LogP ≤ 5 | 34.85 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 28 |