C192H400N28O17 — CID 160986157
N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;1-tert-butylazetidin-3-ol;4-tert-butyl-N,N-dimethylmorpholin-2-amine;N-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidin-3-ol;1-(4-tert-butylmorpholin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butylmorpholin-2-yl)-N-methylmethanamine;N-tert-butyl-1-(oxetan-3-yl)piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperidin-4-ol;4-tert-butyl-2-propylmorpholine;1-tert-butylpyrrolidine-3,4-diol;1-tert-butylpyrrolidin-3-ol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine;4-(3,3-dimethylbutan-2-yl)-1-ethylpiperidine (PubChem CID 160986157) has the molecular formula C192H400N28O17 and a molecular weight of 3373.49 g/mol. Its IUPAC name is N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;1-tert-butylazetidin-3-ol;4-tert-butyl-N,N-dimethylmorpholin-2-amine;N-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidin-3-ol;1-(4-tert-butylmorpholin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butylmorpholin-2-yl)-N-methylmethanamine;N-tert-butyl-1-(oxetan-3-yl)piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperidin-4-ol;4-tert-butyl-2-propylmorpholine;1-tert-butylpyrrolidine-3,4-diol;1-tert-butylpyrrolidin-3-ol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine;4-(3,3-dimethylbutan-2-yl)-1-ethylpiperidine.
| Compound Name | N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;1-tert-butylazetidin-3-ol;4-tert-butyl-N,N-dimethylmorpholin-2-amine;N-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidin-3-ol;1-(4-tert-butylmorpholin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butylmorpholin-2-yl)-N-methylmethanamine;N-tert-butyl-1-(oxetan-3-yl)piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperidin-4-ol;4-tert-butyl-2-propylmorpholine;1-tert-butylpyrrolidine-3,4-diol;1-tert-butylpyrrolidin-3-ol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine;4-(3,3-dimethylbutan-2-yl)-1-ethylpiperidine |
|---|---|
| PubChem CID | 160986157 |
| Molecular Formula | C192H400N28O17 |
| Molecular Weight | 3373.49 g/mol |
| Exact Mass | 3371.13 |
| IUPAC Name | N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine;1-tert-butylazetidin-3-ol;4-tert-butyl-N,N-dimethylmorpholin-2-amine;N-tert-butyl-1-(2-methoxyethyl)piperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butyl-3-methylpyrrolidin-3-ol;1-(4-tert-butylmorpholin-2-yl)-N,N-dimethylmethanamine;1-(4-tert-butylmorpholin-2-yl)-N-methylmethanamine;N-tert-butyl-1-(oxetan-3-yl)piperidin-4-amine;1-(4-tert-butylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;1-tert-butylpiperidin-3-ol;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperidin-4-ol;4-tert-butyl-2-propylmorpholine;1-tert-butylpyrrolidine-3,4-diol;1-tert-butylpyrrolidin-3-ol;4-tert-butyl-2-(pyrrolidin-1-ylmethyl)morpholine;4-(3,3-dimethylbutan-2-yl)-1-ethylpiperidine |
| SMILES | CC(C)(C)N1CC(O)C(O)C1.CC(C)(C)N1CC(O)C1.CC(C)(C)N1CCC(O)C1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCN(C(=O)CC2CCCN2)CC1.CC(C)(C)N1CCOC(CN2CCCC2)C1.CC(C)(C)NC1CCN(C2COC2)CC1.CC(C)(C)NC1CN2CCC1CC2.CC1(O)CCN(C(C)(C)C)C1.CC1(O)CCN(C(C)(C)C)CC1.CC1(O)CCN(C2CCN(C(C)(C)C)CC2)CC1.CCCC1CN(C(C)(C)C)CCO1.CCN1CCC(C(C)C(C)(C)C)CC1.CN(C)C1CN(C(C)(C)C)CCO1.CN(C)CC1CN(C(C)(C)C)CCO1.CNCC1CN(C(C)(C)C)CCO1.COCCN1CCC(NC(C)(C)C)CC1 |
| InChI | InChI=1S/C15H30N2O.C14H27N3O.C13H26N2O.C13H27N.C12H24N2O.C12H26N2O.C11H24N2O.C11H22N2.C11H23NO.2C10H22N2O.C10H21NO.3C9H19NO.C8H17NO2.C8H17NO.C7H15NO/c1-14(2,3)17-9-5-13(6-10-17)16-11-7-15(4,18)8-12-16;1-14(2,3)17-9-7-16(8-10-17)13(18)11-12-5-4-6-15-12;1-13(2,3)15-8-9-16-12(11-15)10-14-6-4-5-7-14;1-6-14-9-7-12(8-10-14)11(2)13(3,4)5;1-12(2,3)13-10-4-6-14(7-5-10)11-8-15-9-11;1-12(2,3)13-11-5-7-14(8-6-11)9-10-15-4;1-11(2,3)13-6-7-14-10(9-13)8-12(4)5;1-11(2,3)12-10-8-13-6-4-9(10)5-7-13;1-5-6-10-9-12(7-8-13-10)11(2,3)4;1-10(2,3)12-6-7-13-9(8-12)11(4)5;1-10(2,3)12-5-6-13-9(8-12)7-11-4;1-9(2,3)11-7-5-10(4,12)6-8-11;1-8(2,3)10-6-5-9(4,11)7-10;1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-6-4-5-8(11)7-10;1-8(2,3)9-4-6(10)7(11)5-9;1-8(2,3)9-5-4-7(10)6-9;1-7(2,3)8-4-6(9)5-8/h13,18H,5-12H2,1-4H3;12,15H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-12H,6-10H2,1-5H3;10-11,13H,4-9H2,1-3H3;11,13H,5-10H2,1-4H3;10H,6-9H2,1-5H3;9-10,12H,4-8H2,1-3H3;10H,5-9H2,1-4H3;9H,6-8H2,1-5H3;9,11H,5-8H2,1-4H3;12H,5-8H2,1-4H3;11H,5-7H2,1-4H3;2*8,11H,4-7H2,1-3H3;6-7,10-11H,4-5H2,1-3H3;7,10H,4-6H2,1-3H3;6,9H,4-5H2,1-3H3 |
| InChIKey | TTZTWCMNBJMYPU-UHFFFAOYSA-N |
| XLogP | 23.88 |
| TPSA | 398.42 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 237 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3373.49 |
| LogP ≤ 5 | 23.88 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 44 |