C155H312FN26O13P — CID 158418111
(4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-fluoro-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;3-propan-2-ylazetidine;(1-propan-2-ylazetidin-3-yl) dihydrogen phosphate;(1-propan-2-ylazetidin-3-yl)methanamine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-propan-2-ylcyclopentan-1-amine;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(1-propan-2-ylpyrrolidin-2-yl)methanol (PubChem CID 158418111) has the molecular formula C155H312FN26O13P and a molecular weight of 2798.34 g/mol. Its IUPAC name is (4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-fluoro-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;3-propan-2-ylazetidine;(1-propan-2-ylazetidin-3-yl) dihydrogen phosphate;(1-propan-2-ylazetidin-3-yl)methanamine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-propan-2-ylcyclopentan-1-amine;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(1-propan-2-ylpyrrolidin-2-yl)methanol.
| Compound Name | (4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-fluoro-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;3-propan-2-ylazetidine;(1-propan-2-ylazetidin-3-yl) dihydrogen phosphate;(1-propan-2-ylazetidin-3-yl)methanamine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-propan-2-ylcyclopentan-1-amine;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(1-propan-2-ylpyrrolidin-2-yl)methanol |
|---|---|
| PubChem CID | 158418111 |
| Molecular Formula | C155H312FN26O13P |
| Molecular Weight | 2798.34 g/mol |
| Exact Mass | 2796.43 |
| IUPAC Name | (4-amino-1-propan-2-ylpyrrolidin-2-yl)methanol;4-fluoro-1-propan-2-ylpyrrolidin-3-amine;3-phenoxy-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;2-(propan-2-ylamino)ethanol;2-[2-(propan-2-ylamino)ethylamino]ethanol;3-propan-2-ylazetidine;(1-propan-2-ylazetidin-3-yl) dihydrogen phosphate;(1-propan-2-ylazetidin-3-yl)methanamine;(1-propan-2-ylazetidin-3-yl)methanol;2-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-propan-2-ylcyclopentan-1-amine;propan-2-ylcyclopentane;1-propan-2-ylpiperidin-3-amine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carbonitrile;1-propan-2-ylpiperidin-3-ol;1-propan-2-ylpiperidin-4-ol;(1-propan-2-ylpyrrolidin-2-yl)methanol |
| SMILES | CC(C)C1CCC(N)C1.CC(C)C1CCCC1.CC(C)C1CNC1.CC(C)N1CC(CN)C1.CC(C)N1CC(CO)C1.CC(C)N1CC(N)C(F)C1.CC(C)N1CC(N)CC1CO.CC(C)N1CC(OP(=O)(O)O)C1.CC(C)N1CC(Oc2ccccn2)C1.CC(C)N1CCC(C#N)CC1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC(Oc2ccccc2)C1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(N)C1.CC(C)N1CCCC(O)C1.CC(C)N1CCCC1CO.CC(C)NCCNCCO.CC(C)NCCO |
| InChI | InChI=1S/C13H19NO.C13H19N.C11H16N2O.C9H16N2.C8H18N2O.2C8H18N2.3C8H17NO.C8H17N.C8H16.C7H15FN2.C7H18N2O.C7H16N2.C7H15NO.C6H14NO4P.C6H13N.C5H13NO/c1-11(2)14-9-8-13(10-14)15-12-6-4-3-5-7-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-9(2)13-7-10(8-13)14-11-5-3-4-6-12-11;1-8(2)11-5-3-9(7-10)4-6-11;1-6(2)10-4-7(9)3-8(10)5-11;1-7(2)10-5-3-8(9)4-6-10;1-7(2)10-5-3-4-8(9)6-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)9-5-3-4-8(9)6-10;1-7(2)9-5-3-4-8(10)6-9;1-6(2)7-3-4-8(9)5-7;1-7(2)8-5-3-4-6-8;1-5(2)10-3-6(8)7(9)4-10;1-7(2)9-4-3-8-5-6-10;1-6(2)9-4-7(3-8)5-9;1-6(2)8-3-7(4-8)5-9;1-5(2)7-3-6(4-7)11-12(8,9)10;1-5(2)6-3-7-4-6;1-5(2)6-3-4-7/h3-7,11,13H,8-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;3-6,9-10H,7-8H2,1-2H3;8-9H,3-6H2,1-2H3;6-8,11H,3-5,9H2,1-2H3;2*7-8H,3-6,9H2,1-2H3;3*7-8,10H,3-6H2,1-2H3;6-8H,3-5,9H2,1-2H3;7-8H,3-6H2,1-2H3;5-7H,3-4,9H2,1-2H3;7-10H,3-6H2,1-2H3;6-7H,3-5,8H2,1-2H3;6-7,9H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3,(H2,8,9,10);2*5-7H,3-4H2,1-2H3 |
| InChIKey | HADPRTOGDUTGSF-UHFFFAOYSA-N |
| XLogP | 18.77 |
| TPSA | 513.11 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2798.34 |
| LogP ≤ 5 | 18.77 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|