C195H446FN31O14 — CID 159932336
1-tert-butylazetidin-3-ol;1-(4-tert-butylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;N,N-dimethyl-1-morpholin-2-ylmethanamine;N,N-dimethylpiperidin-3-amine;N-ethylpyrrolidin-3-amine;N-(3-fluoropropyl)pyrrolidin-3-amine;N-(2-methoxyethyl)pyrrolidin-3-amine;N-methyl-1-morpholin-2-ylmethanamine;4-methylpiperidin-4-ol;4-methyl-1-piperidin-4-ylpiperidin-4-ol;heptadecakis(2-methylpropane);N-methylpyrrolidin-3-amine;3-methylpyrrolidin-3-ol;piperidin-3-ol;piperidin-4-ol;3-propylpiperidine;pyrrolidin-3-amine;pyrrolidine-3,4-diol;pyrrolidin-3-ol;2-(pyrrolidin-1-ylmethyl)morpholine (PubChem CID 159932336) has the molecular formula C195H446FN31O14 and a molecular weight of 3468.91 g/mol. Its IUPAC name is 1-tert-butylazetidin-3-ol;1-(4-tert-butylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;N,N-dimethyl-1-morpholin-2-ylmethanamine;N,N-dimethylpiperidin-3-amine;N-ethylpyrrolidin-3-amine;N-(3-fluoropropyl)pyrrolidin-3-amine;N-(2-methoxyethyl)pyrrolidin-3-amine;N-methyl-1-morpholin-2-ylmethanamine;4-methylpiperidin-4-ol;4-methyl-1-piperidin-4-ylpiperidin-4-ol;heptadecakis(2-methylpropane);N-methylpyrrolidin-3-amine;3-methylpyrrolidin-3-ol;piperidin-3-ol;piperidin-4-ol;3-propylpiperidine;pyrrolidin-3-amine;pyrrolidine-3,4-diol;pyrrolidin-3-ol;2-(pyrrolidin-1-ylmethyl)morpholine.
| Compound Name | 1-tert-butylazetidin-3-ol;1-(4-tert-butylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;N,N-dimethyl-1-morpholin-2-ylmethanamine;N,N-dimethylpiperidin-3-amine;N-ethylpyrrolidin-3-amine;N-(3-fluoropropyl)pyrrolidin-3-amine;N-(2-methoxyethyl)pyrrolidin-3-amine;N-methyl-1-morpholin-2-ylmethanamine;4-methylpiperidin-4-ol;4-methyl-1-piperidin-4-ylpiperidin-4-ol;heptadecakis(2-methylpropane);N-methylpyrrolidin-3-amine;3-methylpyrrolidin-3-ol;piperidin-3-ol;piperidin-4-ol;3-propylpiperidine;pyrrolidin-3-amine;pyrrolidine-3,4-diol;pyrrolidin-3-ol;2-(pyrrolidin-1-ylmethyl)morpholine |
|---|---|
| PubChem CID | 159932336 |
| Molecular Formula | C195H446FN31O14 |
| Molecular Weight | 3468.91 g/mol |
| Exact Mass | 3466.51 |
| IUPAC Name | 1-tert-butylazetidin-3-ol;1-(4-tert-butylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;N,N-dimethyl-1-morpholin-2-ylmethanamine;N,N-dimethylpiperidin-3-amine;N-ethylpyrrolidin-3-amine;N-(3-fluoropropyl)pyrrolidin-3-amine;N-(2-methoxyethyl)pyrrolidin-3-amine;N-methyl-1-morpholin-2-ylmethanamine;4-methylpiperidin-4-ol;4-methyl-1-piperidin-4-ylpiperidin-4-ol;heptadecakis(2-methylpropane);N-methylpyrrolidin-3-amine;3-methylpyrrolidin-3-ol;piperidin-3-ol;piperidin-4-ol;3-propylpiperidine;pyrrolidin-3-amine;pyrrolidine-3,4-diol;pyrrolidin-3-ol;2-(pyrrolidin-1-ylmethyl)morpholine |
| SMILES | C1CCN(CC2CNCCO2)C1.CC(C)(C)N1CC(O)C1.CC(C)(C)N1CCN(C(=O)CC2CCCN2)CC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC1(O)CCN(C2CCNCC2)CC1.CC1(O)CCNC1.CC1(O)CCNCC1.CCCC1CCCNC1.CCNC1CCNC1.CN(C)C1CCCNC1.CN(C)CC1CNCCO1.CNC1CCNC1.CNCC1CNCCO1.COCCNC1CCNC1.FCCCNC1CCNC1.NC1CCNC1.OC1CCCNC1.OC1CCNC1.OC1CCNCC1.OC1CNCC1O |
| InChI | InChI=1S/C14H27N3O.C11H22N2O.C9H18N2O.C8H17N.C7H15FN2.2C7H16N2O.C7H16N2.C7H15NO.C6H14N2O.C6H14N2.C6H13NO.C5H12N2.3C5H11NO.C4H10N2.C4H9NO2.C4H9NO.17C4H10/c1-14(2,3)17-9-7-16(8-10-17)13(18)11-12-5-4-6-15-12;1-11(14)4-8-13(9-5-11)10-2-6-12-7-3-10;1-2-5-11(4-1)8-9-7-10-3-6-12-9;1-2-4-8-5-3-6-9-7-8;8-3-1-4-10-7-2-5-9-6-7;1-9(2)6-7-5-8-3-4-10-7;1-10-5-4-9-7-2-3-8-6-7;1-9(2)7-4-3-5-8-6-7;1-7(2,3)8-4-6(9)5-8;1-7-4-6-5-8-2-3-9-6;1-2-8-6-3-4-7-5-6;1-6(8)2-4-7-5-3-6;1-6-5-2-3-7-4-5;1-5(7)2-3-6-4-5;7-5-1-3-6-4-2-5;7-5-2-1-3-6-4-5;5-4-1-2-6-3-4;6-3-1-5-2-4(3)7;6-4-1-2-5-3-4;17*1-4(2)3/h12,15H,4-11H2,1-3H3;10,12,14H,2-9H2,1H3;9-10H,1-8H2;8-9H,2-7H2,1H3;7,9-10H,1-6H2;7-8H,3-6H2,1-2H3;7-9H,2-6H2,1H3;7-8H,3-6H2,1-2H3;6,9H,4-5H2,1-3H3;6-8H,2-5H2,1H3;6-8H,2-5H2,1H3;7-8H,2-5H2,1H3;5-7H,2-4H2,1H3;6-7H,2-4H2,1H3;2*5-7H,1-4H2;4,6H,1-3,5H2;3-7H,1-2H2;4-6H,1-3H2;17*4H,1-3H3 |
| InChIKey | NZULNYMGCSDXJQ-UHFFFAOYSA-N |
| XLogP | 26.94 |
| TPSA | 561.45 Ų |
| H-Bond Donors | 33 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 241 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3468.91 |
| LogP ≤ 5 | 26.94 |
| H-Bond Donors ≤ 5 | 33 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|