1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
C203H331N47O13S2 — CID 157377296
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N.C/N=C(\C)N(C)C.C/N=C(\C)N1CCCC1.CC(=O)N1CCCC1.CC(N)=NO.CC1=NCCN1C.CCN(C)C.CCN1CCN(C)CC1.CCN1CCOCC1.CN1CCOCC1.CON=C(C)N.Cc1cc[nH]c(=O)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN(C)C)c1.Cc1cccc(CN)c1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1ccccc1N(C)C.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C(N)=O)c1.Cc1ccnc(N)c1.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\N)c1ccccc1C
InChIInChI=1S/C12H17N3.C12H17N.C11H15N3.C10H14N2.C10H15N.C9H13N.C8H10N2.2C8H9NO.2C8H11N.C8H10O2S.C7H8N2O.C7H14N2.C7H16N2.C7H9NO2S.C6H8N2.C6H12N2.C6H7NO.C6H11NO.C6H13NO.C5H10N2.C5H12N2.C5H11NO.C4H10N2.C4H11N.C3H8N2O.C3H8N2.C2H6N2O.C2H6N2/c1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-6-4-5-7-9(8)10(11)12(2)3;1-9-5-4-6-10(7-9)8-11(2)3;1-8-6-4-5-7-9(8)10(2)3;1-6-4-2-3-5-7(6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-9-6(4-5)7(8)10;1-7(8-2)9-5-3-4-6-9;1-3-9-6-4-8(2)5-7-9;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-8-6(7)4-5;1-6(7)8-4-2-3-5-8;1-5-2-3-7-6(8)4-5;1-6(8)7-4-2-3-5-7;1-2-7-3-5-8-6-4-7;1-5-6-3-4-7(5)2;1-5(6-2)7(3)4;1-6-2-4-7-5-3-6;1-4(5)6(2)3;1-4-5(2)3;1-3(4)5-6-2;1-3(4)5-2;1-2(3)4-5;1-2(3)4/h3-6H,7-9H2,1-2H3,(H,13,14);2-3,6-7H,4-5,8-10H2,1H3;2-5H,6-8H2,1H3,(H2,12,13,14);4-7,11H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3,(H2,8,10);3-6H2,1-2H3;3-7H2,1-2H3;2-5H,1H3,(H2,8,9,10);2-4H,1H3,(H2,7,8);7H,2-5H2,1H3;2-4H,1H3,(H,7,8);2-5H2,1H3;2-6H2,1H3;3-4H2,1-2H3;1-4H3;2-5H2,1H3;5H,1-3H3;4H2,1-3H3;1-2H3,(H2,4,5);1-2H3,(H2,4,5);5H,1H3,(H2,3,4);1H3,(H3,3,4)/b;;;11-10-;;;;;;;;;;8-7+;;;;7-6+;;;;;6-5+;;5-4+;;;;;
InChIKeyBKLUCOJDGGINNT-XVRKJNEKSA-N
MW3702.33 g/mol
LogP26.63
Rot. Bonds22
About 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide (PubChem CID 157377296) has the molecular formula C203H331N47O13S2 and a molecular weight of 3702.33 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide.
Molecular Properties
| Compound Name | 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide |
|---|---|
| PubChem CID | 157377296 |
| Molecular Formula | C203H331N47O13S2 |
| Molecular Weight | 3702.33 g/mol |
| Exact Mass | 3699.61 |
| IUPAC Name | 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide |
| SMILES | C/N=C(\C)N.C/N=C(\C)N(C)C.C/N=C(\C)N1CCCC1.CC(=O)N1CCCC1.CC(N)=NO.CC1=NCCN1C.CCN(C)C.CCN1CCN(C)CC1.CCN1CCOCC1.CN1CCOCC1.CON=C(C)N.Cc1cc[nH]c(=O)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN(C)C)c1.Cc1cccc(CN)c1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1ccccc1N(C)C.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C(N)=O)c1.Cc1ccnc(N)c1.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\N)c1ccccc1C |
| InChI | InChI=1S/C12H17N3.C12H17N.C11H15N3.C10H14N2.C10H15N.C9H13N.C8H10N2.2C8H9NO.2C8H11N.C8H10O2S.C7H8N2O.C7H14N2.C7H16N2.C7H9NO2S.C6H8N2.C6H12N2.C6H7NO.C6H11NO.C6H13NO.C5H10N2.C5H12N2.C5H11NO.C4H10N2.C4H11N.C3H8N2O.C3H8N2.C2H6N2O.C2H6N2/c1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-6-4-5-7-9(8)10(11)12(2)3;1-9-5-4-6-10(7-9)8-11(2)3;1-8-6-4-5-7-9(8)10(2)3;1-6-4-2-3-5-7(6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-9-6(4-5)7(8)10;1-7(8-2)9-5-3-4-6-9;1-3-9-6-4-8(2)5-7-9;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-8-6(7)4-5;1-6(7)8-4-2-3-5-8;1-5-2-3-7-6(8)4-5;1-6(8)7-4-2-3-5-7;1-2-7-3-5-8-6-4-7;1-5-6-3-4-7(5)2;1-5(6-2)7(3)4;1-6-2-4-7-5-3-6;1-4(5)6(2)3;1-4-5(2)3;1-3(4)5-6-2;1-3(4)5-2;1-2(3)4-5;1-2(3)4/h3-6H,7-9H2,1-2H3,(H,13,14);2-3,6-7H,4-5,8-10H2,1H3;2-5H,6-8H2,1H3,(H2,12,13,14);4-7,11H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3,(H2,8,10);3-6H2,1-2H3;3-7H2,1-2H3;2-5H,1H3,(H2,8,9,10);2-4H,1H3,(H2,7,8);7H,2-5H2,1H3;2-4H,1H3,(H,7,8);2-5H2,1H3;2-6H2,1H3;3-4H2,1-2H3;1-4H3;2-5H2,1H3;5H,1-3H3;4H2,1-3H3;1-2H3,(H2,4,5);1-2H3,(H2,4,5);5H,1H3,(H2,3,4);1H3,(H3,3,4)/b;;;11-10-;;;;;;;;;;8-7+;;;;7-6+;;;;;6-5+;;5-4+;;;;; |
| InChIKey | BKLUCOJDGGINNT-XVRKJNEKSA-N |
| XLogP | 26.63 |
| TPSA | 861.42 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 265 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3702.33 |
| LogP ≤ 5 | 26.63 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 44 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The IUPAC name of 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide (CID 157377296) is 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide.
What is the SMILES notation for 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The canonical SMILES for 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide is C/N=C(\C)N.C/N=C(\C)N(C)C.C/N=C(\C)N1CCCC1.CC(=O)N1CCCC1.CC(N)=NO.CC1=NCCN1C.CCN(C)C.CCN1CCN(C)CC1.CCN1CCOCC1.CN1CCOCC1.CON=C(C)N.Cc1cc[nH]c(=O)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN(C)C)c1.Cc1cccc(CN)c1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1ccccc1N(C)C.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C(N)=O)c1.Cc1ccnc(N)c1.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CCCC1.[H]/N=C(\N)c1ccccc1C.
What is the InChIKey of 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The InChIKey is BKLUCOJDGGINNT-XVRKJNEKSA-N. The full InChI is InChI=1S/C12H17N3.C12H17N.C11H15N3.C10H14N2.C10H15N.C9H13N.C8H10N2.2C8H9NO.2C8H11N.C8H10O2S.C7H8N2O.C7H14N2.C7H16N2.C7H9NO2S.C6H8N2.C6H12N2.C6H7NO.C6H11NO.C6H13NO.C5H10N2.C5H12N2.C5H11NO.C4H10N2.C4H11N.C3H8N2O.C3H8N2.C2H6N2O.C2H6N2/c1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-6-4-5-7-9(8)10(11)12(2)3;1-9-5-4-6-10(7-9)8-11(2)3;1-8-6-4-5-7-9(8)10(2)3;1-6-4-2-3-5-7(6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-9-6(4-5)7(8)10;1-7(8-2)9-5-3-4-6-9;1-3-9-6-4-8(2)5-7-9;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-8-6(7)4-5;1-6(7)8-4-2-3-5-8;1-5-2-3-7-6(8)4-5;1-6(8)7-4-2-3-5-7;1-2-7-3-5-8-6-4-7;1-5-6-3-4-7(5)2;1-5(6-2)7(3)4;1-6-2-4-7-5-3-6;1-4(5)6(2)3;1-4-5(2)3;1-3(4)5-6-2;1-3(4)5-2;1-2(3)4-5;1-2(3)4/h3-6H,7-9H2,1-2H3,(H,13,14);2-3,6-7H,4-5,8-10H2,1H3;2-5H,6-8H2,1H3,(H2,12,13,14);4-7,11H,1-3H3;4-7H,8H2,1-3H3;4-7H,1-3H3;2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3,(H2,8,10);3-6H2,1-2H3;3-7H2,1-2H3;2-5H,1H3,(H2,8,9,10);2-4H,1H3,(H2,7,8);7H,2-5H2,1H3;2-4H,1H3,(H,7,8);2-5H2,1H3;2-6H2,1H3;3-4H2,1-2H3;1-4H3;2-5H2,1H3;5H,1-3H3;4H2,1-3H3;1-2H3,(H2,4,5);1-2H3,(H2,4,5);5H,1H3,(H2,3,4);1H3,(H3,3,4)/b;;;11-10-;;;;;;;;;;8-7+;;;;7-6+;;;;;6-5+;;5-4+;;;;;.
What are the key properties of 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide has a molecular weight of 3702.33 g/mol, XLogP of 26.63, 22 rotatable bonds, 22 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(3-methylphenyl)methanamine;ethanimidamide;1-ethyl-4-methylpiperazine;4-ethylmorpholine;N'-hydroxyethanimidamide;N'-methoxyethanimidamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;N'-methylethanimidamide;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;1-methyl-2-methylsulfonylbenzene;4-methylmorpholine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine-2-carboxamide;4-methyl-1H-pyridin-2-one;N-methyl-1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;1-pyrrolidin-1-ylethanone;N,N,2-trimethylaniline;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide is sourced from PubChem (CID 157377296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157377296 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.