N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine
C245H328N44O10S3 — CID 158008629
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine
SMILESCNS(=O)(=O)c1ccccc1C.Cc1ccccc1.Cc1ccccc1C#N.Cc1ccccc1C(=O)N(C)C.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN(C)C1=NCCN1.Cc1ccccc1CN(C)C1=NCCN1C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1ccccc1NC1=NCCN1.Cc1ccccc1NC1=NCCN1C.Cc1ccccc1NC1=NCCO1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccncc1C#N.Cc1ccncc1CN.Cc1ccncc1CN(C)C.Cc1ccncc1N.Cc1ccncc1N(C)C.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C
InChIInChI=1S/C13H19N3.C13H19N.2C12H17N3.C12H17NO.C12H17N.2C11H15N3.C10H13N3.C10H12N2O.C10H14N2.C10H13NO.C10H15N.C9H14N2.C8H12N2.C8H10N2.C8H11NO2S.C8H9NO.C8H11N.C8H7N.C8H10O2S.C7H10N2.C7H6N2.C7H9NO2S.C7H8.C6H8N2/c1-11-6-4-5-7-12(11)10-16(3)13-14-8-9-15(13)2;1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-10-5-3-4-6-11(10)9-15(2)12-13-7-8-14-12;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-9-5-3-4-6-10(9)13-11-12-7-8-14(11)2;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-4-2-3-5-9(8)13-10-11-6-7-12-10;1-8-4-2-3-5-9(8)12-10-11-6-7-13-10;1-8-6-4-5-7-9(8)10(11)12(2)3;1-8-6-4-5-7-9(8)10(12)11(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-8-4-5-10-6-9(8)7-11(2)3;1-7-4-5-9-6-8(7)10(2)3;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)12(10,11)9-2;1-6-4-2-3-5-7(6)8(9)10;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;2*1-6-2-3-9-5-7(6)4-8;1-6-4-2-3-5-7(6)11(8,9)10;1-7-5-3-2-4-6-7;1-5-2-3-8-4-6(5)7/h4-7H,8-10H2,1-3H3;3-4,7-8H,2,5-6,9-11H2,1H3;2*3-6H,7-9H2,1-2H3,(H,13,14);2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;3-6H,7-8H2,1-2H3,(H,12,13);2-5H,6-8H2,1H3,(H2,12,13,14);2-5H,6-7H2,1H3,(H2,11,12,13);2-5H,6-7H2,1H3,(H,11,12);4-7,11H,1-3H3;4-7H,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;2-5H,1H3,(H3,9,10);3-6,9H,1-2H3;2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-5H,1H3,(H2,8,9,10);2-6H,1H3;2-4H,7H2,1H3/b;;;;;;;;;;11-10-;;;;;;;;;;;;;;;
InChIKeyFEPNWKVZDAHVJW-SAHYDIIPSA-N
MW4145.82 g/mol
LogP40.07
Rot. Bonds32
About N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine
N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine (PubChem CID 158008629) has the molecular formula C245H328N44O10S3 and a molecular weight of 4145.82 g/mol. Its IUPAC name is N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine.
Molecular Properties
| Compound Name | N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine |
|---|---|
| PubChem CID | 158008629 |
| Molecular Formula | C245H328N44O10S3 |
| Molecular Weight | 4145.82 g/mol |
| Exact Mass | 4142.57 |
| IUPAC Name | N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine |
| SMILES | CNS(=O)(=O)c1ccccc1C.Cc1ccccc1.Cc1ccccc1C#N.Cc1ccccc1C(=O)N(C)C.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN(C)C1=NCCN1.Cc1ccccc1CN(C)C1=NCCN1C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1ccccc1NC1=NCCN1.Cc1ccccc1NC1=NCCN1C.Cc1ccccc1NC1=NCCO1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccncc1C#N.Cc1ccncc1CN.Cc1ccncc1CN(C)C.Cc1ccncc1N.Cc1ccncc1N(C)C.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C |
| InChI | InChI=1S/C13H19N3.C13H19N.2C12H17N3.C12H17NO.C12H17N.2C11H15N3.C10H13N3.C10H12N2O.C10H14N2.C10H13NO.C10H15N.C9H14N2.C8H12N2.C8H10N2.C8H11NO2S.C8H9NO.C8H11N.C8H7N.C8H10O2S.C7H10N2.C7H6N2.C7H9NO2S.C7H8.C6H8N2/c1-11-6-4-5-7-12(11)10-16(3)13-14-8-9-15(13)2;1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-10-5-3-4-6-11(10)9-15(2)12-13-7-8-14-12;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-9-5-3-4-6-10(9)13-11-12-7-8-14(11)2;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-4-2-3-5-9(8)13-10-11-6-7-12-10;1-8-4-2-3-5-9(8)12-10-11-6-7-13-10;1-8-6-4-5-7-9(8)10(11)12(2)3;1-8-6-4-5-7-9(8)10(12)11(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-8-4-5-10-6-9(8)7-11(2)3;1-7-4-5-9-6-8(7)10(2)3;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)12(10,11)9-2;1-6-4-2-3-5-7(6)8(9)10;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;2*1-6-2-3-9-5-7(6)4-8;1-6-4-2-3-5-7(6)11(8,9)10;1-7-5-3-2-4-6-7;1-5-2-3-8-4-6(5)7/h4-7H,8-10H2,1-3H3;3-4,7-8H,2,5-6,9-11H2,1H3;2*3-6H,7-9H2,1-2H3,(H,13,14);2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;3-6H,7-8H2,1-2H3,(H,12,13);2-5H,6-8H2,1H3,(H2,12,13,14);2-5H,6-7H2,1H3,(H2,11,12,13);2-5H,6-7H2,1H3,(H,11,12);4-7,11H,1-3H3;4-7H,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;2-5H,1H3,(H3,9,10);3-6,9H,1-2H3;2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-5H,1H3,(H2,8,9,10);2-6H,1H3;2-4H,7H2,1H3/b;;;;;;;;;;11-10-;;;;;;;;;;;;;;; |
| InChIKey | FEPNWKVZDAHVJW-SAHYDIIPSA-N |
| XLogP | 40.07 |
| TPSA | 707.78 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 302 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4145.82 |
| LogP ≤ 5 | 40.07 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 48 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine?
The IUPAC name of N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine (CID 158008629) is N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine.
What is the SMILES notation for N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine?
The canonical SMILES for N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine is CNS(=O)(=O)c1ccccc1C.Cc1ccccc1.Cc1ccccc1C#N.Cc1ccccc1C(=O)N(C)C.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN(C)C1=NCCN1.Cc1ccccc1CN(C)C1=NCCN1C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1ccccc1NC1=NCCN1.Cc1ccccc1NC1=NCCN1C.Cc1ccccc1NC1=NCCO1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccncc1C#N.Cc1ccncc1CN.Cc1ccncc1CN(C)C.Cc1ccncc1N.Cc1ccncc1N(C)C.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C.
What is the InChIKey of N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine?
The InChIKey is FEPNWKVZDAHVJW-SAHYDIIPSA-N. The full InChI is InChI=1S/C13H19N3.C13H19N.2C12H17N3.C12H17NO.C12H17N.2C11H15N3.C10H13N3.C10H12N2O.C10H14N2.C10H13NO.C10H15N.C9H14N2.C8H12N2.C8H10N2.C8H11NO2S.C8H9NO.C8H11N.C8H7N.C8H10O2S.C7H10N2.C7H6N2.C7H9NO2S.C7H8.C6H8N2/c1-11-6-4-5-7-12(11)10-16(3)13-14-8-9-15(13)2;1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-10-5-3-4-6-11(10)9-15(2)12-13-7-8-14-12;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-9-5-3-4-6-10(9)13-11-12-7-8-14(11)2;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-8-4-2-3-5-9(8)13-10-11-6-7-12-10;1-8-4-2-3-5-9(8)12-10-11-6-7-13-10;1-8-6-4-5-7-9(8)10(11)12(2)3;1-8-6-4-5-7-9(8)10(12)11(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-8-4-5-10-6-9(8)7-11(2)3;1-7-4-5-9-6-8(7)10(2)3;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)12(10,11)9-2;1-6-4-2-3-5-7(6)8(9)10;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;2*1-6-2-3-9-5-7(6)4-8;1-6-4-2-3-5-7(6)11(8,9)10;1-7-5-3-2-4-6-7;1-5-2-3-8-4-6(5)7/h4-7H,8-10H2,1-3H3;3-4,7-8H,2,5-6,9-11H2,1H3;2*3-6H,7-9H2,1-2H3,(H,13,14);2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;3-6H,7-8H2,1-2H3,(H,12,13);2-5H,6-8H2,1H3,(H2,12,13,14);2-5H,6-7H2,1H3,(H2,11,12,13);2-5H,6-7H2,1H3,(H,11,12);4-7,11H,1-3H3;4-7H,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;2-5H,1H3,(H3,9,10);3-6,9H,1-2H3;2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-5H,1H3,(H2,8,9,10);2-6H,1H3;2-4H,7H2,1H3/b;;;;;;;;;;11-10-;;;;;;;;;;;;;;;.
What are the key properties of N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine?
N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine has a molecular weight of 4145.82 g/mol, XLogP of 40.07, 32 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,1-dimethyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-N-(2-methylphenyl)-4,5-dihydroimidazol-2-amine;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;1-methyl-2-methylsulfonylbenzene;N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine;N-(2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine;(2-methylphenyl)methanamine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine is sourced from PubChem (CID 158008629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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