C118H239F3N40O6+2 — CID 161396764
amino 1-ethanimidoylpiperidine-4-carboxylate;N-amino-N-methylethanimidamide;1-[1-(azetidin-1-ium-1-ylidene)ethyl]azetidine;1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;N-benzyl-N-methylethanimidamide;N-(cyclohexylmethyl)-N-methylethanimidamide;N'-(dimethylamino)ethanimidamide;1-(dimethylamino)ethylidene-dimethylazanium;N-(dimethylamino)-N-methylethanimidamide;1-ethanimidoylpiperidine-4-carboxylic acid;ethyl 1-ethanimidoylpiperidine-4-carboxylate;1-ethyl-2-methyl-4,5-dihydroimidazole;N-ethyl-N-methylethanimidamide;N-methyl-N-propylethanimidamide;N-methyl-N-(4,4,4-trifluorobutyl)ethanimidamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine (PubChem CID 161396764) has the molecular formula C118H239F3N40O6+2 and a molecular weight of 2371.48 g/mol. Its IUPAC name is amino 1-ethanimidoylpiperidine-4-carboxylate;N-amino-N-methylethanimidamide;1-[1-(azetidin-1-ium-1-ylidene)ethyl]azetidine;1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;N-benzyl-N-methylethanimidamide;N-(cyclohexylmethyl)-N-methylethanimidamide;N'-(dimethylamino)ethanimidamide;1-(dimethylamino)ethylidene-dimethylazanium;N-(dimethylamino)-N-methylethanimidamide;1-ethanimidoylpiperidine-4-carboxylic acid;ethyl 1-ethanimidoylpiperidine-4-carboxylate;1-ethyl-2-methyl-4,5-dihydroimidazole;N-ethyl-N-methylethanimidamide;N-methyl-N-propylethanimidamide;N-methyl-N-(4,4,4-trifluorobutyl)ethanimidamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine.
| Compound Name | amino 1-ethanimidoylpiperidine-4-carboxylate;N-amino-N-methylethanimidamide;1-[1-(azetidin-1-ium-1-ylidene)ethyl]azetidine;1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;N-benzyl-N-methylethanimidamide;N-(cyclohexylmethyl)-N-methylethanimidamide;N'-(dimethylamino)ethanimidamide;1-(dimethylamino)ethylidene-dimethylazanium;N-(dimethylamino)-N-methylethanimidamide;1-ethanimidoylpiperidine-4-carboxylic acid;ethyl 1-ethanimidoylpiperidine-4-carboxylate;1-ethyl-2-methyl-4,5-dihydroimidazole;N-ethyl-N-methylethanimidamide;N-methyl-N-propylethanimidamide;N-methyl-N-(4,4,4-trifluorobutyl)ethanimidamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine |
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| PubChem CID | 161396764 |
| Molecular Formula | C118H239F3N40O6+2 |
| Molecular Weight | 2371.48 g/mol |
| Exact Mass | 2369.96 |
| IUPAC Name | amino 1-ethanimidoylpiperidine-4-carboxylate;N-amino-N-methylethanimidamide;1-[1-(azetidin-1-ium-1-ylidene)ethyl]azetidine;1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;N-benzyl-N-methylethanimidamide;N-(cyclohexylmethyl)-N-methylethanimidamide;N'-(dimethylamino)ethanimidamide;1-(dimethylamino)ethylidene-dimethylazanium;N-(dimethylamino)-N-methylethanimidamide;1-ethanimidoylpiperidine-4-carboxylic acid;ethyl 1-ethanimidoylpiperidine-4-carboxylate;1-ethyl-2-methyl-4,5-dihydroimidazole;N-ethyl-N-methylethanimidamide;N-methyl-N-propylethanimidamide;N-methyl-N-(4,4,4-trifluorobutyl)ethanimidamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine |
| SMILES | CC(N(C)C)=[N+](C)C.CC(N)=NN(C)C.CC(N1CCC1)=[N+]1CCC1.CCN1CCN=C1C.[H]/N=C(\C)N(C)CC.[H]/N=C(\C)N(C)CC1CCCCC1.[H]/N=C(\C)N(C)CCC.[H]/N=C(\C)N(C)CCCC(F)(F)F.[H]/N=C(\C)N(C)Cc1ccccc1.[H]/N=C(\C)N(C)N.[H]/N=C(\C)N(C)N(C)C.[H]/N=C(\C)N1CC1.[H]/N=C(\C)N1CCC(C(=O)O)CC1.[H]/N=C(\C)N1CCC(C(=O)OCC)CC1.[H]/N=C(\C)N1CCC(C(=O)ON)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1 |
| InChI | InChI=1S/C10H18N2O2.C10H20N2.C10H14N2.C8H15N3O2.C8H14N2O2.C8H15N2.C7H13F3N2.C7H14N2.2C6H12N2.C6H15N2.C6H14N2.C5H13N3.C5H10N2.C5H12N2.C4H11N3.C4H8N2.C3H9N3/c1-3-14-10(13)9-4-6-12(7-5-9)8(2)11;2*1-9(11)12(2)8-10-6-4-3-5-7-10;1-6(9)11-4-2-7(3-5-11)8(12)13-10;1-6(9)10-4-2-7(3-5-10)8(11)12;1-8(9-4-2-5-9)10-6-3-7-10;1-6(11)12(2)5-3-4-7(8,9)10;1-7(8)9-5-3-2-4-6-9;1-6(7)8-4-2-3-5-8;1-3-8-5-4-7-6(8)2;1-6(7(2)3)8(4)5;1-4-5-8(3)6(2)7;1-5(6)8(4)7(2)3;1-5(6)7-3-2-4-7;1-4-7(3)5(2)6;1-4(5)6-7(2)3;1-4(5)6-2-3-6;1-3(4)6(2)5/h9,11H,3-7H2,1-2H3;10-11H,3-8H2,1-2H3;3-7,11H,8H2,1-2H3;7,9H,2-5,10H2,1H3;7,9H,2-5H2,1H3,(H,11,12);2-7H2,1H3;11H,3-5H2,1-2H3;8H,2-6H2,1H3;7H,2-5H2,1H3;3-5H2,1-2H3;1-5H3;7H,4-5H2,1-3H3;6H,1-4H3;6H,2-4H2,1H3;6H,4H2,1-3H3;1-3H3,(H2,5,6);5H,2-3H2,1H3;4H,5H2,1-2H3/q;;;;;+1;;;;;+1;;;;;;;/b11-8+;2*11-9+;2*9-6+;;11-6+;8-7+;7-6+;;;7-6+;3*6-5+;;5-4+;4-3+ |
| InChIKey | WPVHOVRSMGZEPE-AMAKSKKNSA-N |
| XLogP | 16.34 |
| TPSA | 593.93 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 167 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2371.48 |
| LogP ≤ 5 | 16.34 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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