1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide

C192H295I12N28- — CID 159440865

IUPAC1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide
SMILESCC1=NC=C[N+]1(C)C.CCN(C)Cc1cc(C[N+](C)(C)C)cc(C[N+](C)(C)C)c1C.CCN(CC)c1cccc(C)c1.CC[N+](C)(CC)c1cccc(C)c1.Cc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C.Cc1cc[n+](C)cc1.Cc1ccc(N(C)C)cc1.Cc1ccc(N)cc1.Cc1ccc([N+](C)(C)C)cc1.Cc1ccc2c3c1CCCN3CCC2.Cc1ccc2c3c1CCC[N+]3(C)CCC2.Cc1ccc[n+](C)c1.Cc1cccc(N(C)C)c1.Cc1cccc(N)c1.Cc1cccc([N+](C)(C)C)c1.Cc1cccc[n+]1C.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1n(C)cc[n+]1C.Cc1ncc[nH]1.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-]
InChIInChI=1S/C19H37N3.C16H29N3.C14H20N.C13H17N.C12H20N.C11H17N.2C10H16N.2C9H13N.3C7H10N.2C7H9N.2C6H11N2.3C6H7N.C4H6N2.12HI/c1-10-20(3)13-18-11-17(14-21(4,5)6)12-19(16(18)2)15-22(7,8)9;1-13-15(11-18(4)5)8-14(10-17(2)3)9-16(13)12-19(6)7;1-11-7-8-12-5-3-9-15(2)10-4-6-13(11)14(12)15;1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;1-5-13(4,6-2)12-9-7-8-11(3)10-12;1-4-12(5-2)11-8-6-7-10(3)9-11;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-7-4-5-8(6,2)3;1-6-7(2)4-5-8(6)3;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;;;;;;;;;;;;/h11-12H,10,13-15H2,1-9H3;8-9H,10-12H2,1-7H3;7-8H,3-6,9-10H2,1-2H3;6-7H,2-5,8-9H2,1H3;7-10H,5-6H2,1-4H3;6-9H,4-5H2,1-3H3;2*5-8H,1-4H3;2*4-7H,1-3H3;3*3-6H,1-2H3;2*2-5H,8H2,1H3;2*4-5H,1-3H3;3*2-5H,1H3;2-3H,1H3,(H,5,6);12*1H/q+2;;+1;;+1;;2*+1;;;3*+1;;;2*+1;;;;;;;;;;;;;;;;/p-12
InChIKeyQEXJGHPHOUGCEA-UHFFFAOYSA-B
MW4518.52 g/mol
LogP0.55
Rot. Bonds23

About 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide

1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide (PubChem CID 159440865) has the molecular formula C192H295I12N28- and a molecular weight of 4518.52 g/mol. Its IUPAC name is 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide.

Molecular Properties

Compound Name1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide
PubChem CID159440865
Molecular FormulaC192H295I12N28-
Molecular Weight4518.52 g/mol
Exact Mass4516.25
IUPAC Name1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide
SMILESCC1=NC=C[N+]1(C)C.CCN(C)Cc1cc(C[N+](C)(C)C)cc(C[N+](C)(C)C)c1C.CCN(CC)c1cccc(C)c1.CC[N+](C)(CC)c1cccc(C)c1.Cc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C.Cc1cc[n+](C)cc1.Cc1ccc(N(C)C)cc1.Cc1ccc(N)cc1.Cc1ccc([N+](C)(C)C)cc1.Cc1ccc2c3c1CCCN3CCC2.Cc1ccc2c3c1CCC[N+]3(C)CCC2.Cc1ccc[n+](C)c1.Cc1cccc(N(C)C)c1.Cc1cccc(N)c1.Cc1cccc([N+](C)(C)C)c1.Cc1cccc[n+]1C.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1n(C)cc[n+]1C.Cc1ncc[nH]1.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-]
InChIInChI=1S/C19H37N3.C16H29N3.C14H20N.C13H17N.C12H20N.C11H17N.2C10H16N.2C9H13N.3C7H10N.2C7H9N.2C6H11N2.3C6H7N.C4H6N2.12HI/c1-10-20(3)13-18-11-17(14-21(4,5)6)12-19(16(18)2)15-22(7,8)9;1-13-15(11-18(4)5)8-14(10-17(2)3)9-16(13)12-19(6)7;1-11-7-8-12-5-3-9-15(2)10-4-6-13(11)14(12)15;1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;1-5-13(4,6-2)12-9-7-8-11(3)10-12;1-4-12(5-2)11-8-6-7-10(3)9-11;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-7-4-5-8(6,2)3;1-6-7(2)4-5-8(6)3;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;;;;;;;;;;;;/h11-12H,10,13-15H2,1-9H3;8-9H,10-12H2,1-7H3;7-8H,3-6,9-10H2,1-2H3;6-7H,2-5,8-9H2,1H3;7-10H,5-6H2,1-4H3;6-9H,4-5H2,1-3H3;2*5-8H,1-4H3;2*4-7H,1-3H3;3*3-6H,1-2H3;2*2-5H,8H2,1H3;2*4-5H,1-3H3;3*2-5H,1H3;2-3H,1H3,(H,5,6);12*1H/q+2;;+1;;+1;;2*+1;;;3*+1;;;2*+1;;;;;;;;;;;;;;;;/p-12
InChIKeyQEXJGHPHOUGCEA-UHFFFAOYSA-B
XLogP0.55
TPSA178.12 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms232
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004518.52
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide?
The IUPAC name of 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide (CID 159440865) is 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide.
What is the SMILES notation for 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide?
The canonical SMILES for 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide is CC1=NC=C[N+]1(C)C.CCN(C)Cc1cc(C[N+](C)(C)C)cc(C[N+](C)(C)C)c1C.CCN(CC)c1cccc(C)c1.CC[N+](C)(CC)c1cccc(C)c1.Cc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C.Cc1cc[n+](C)cc1.Cc1ccc(N(C)C)cc1.Cc1ccc(N)cc1.Cc1ccc([N+](C)(C)C)cc1.Cc1ccc2c3c1CCCN3CCC2.Cc1ccc2c3c1CCC[N+]3(C)CCC2.Cc1ccc[n+](C)c1.Cc1cccc(N(C)C)c1.Cc1cccc(N)c1.Cc1cccc([N+](C)(C)C)c1.Cc1cccc[n+]1C.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.Cc1n(C)cc[n+]1C.Cc1ncc[nH]1.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].
What is the InChIKey of 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide?
The InChIKey is QEXJGHPHOUGCEA-UHFFFAOYSA-B. The full InChI is InChI=1S/C19H37N3.C16H29N3.C14H20N.C13H17N.C12H20N.C11H17N.2C10H16N.2C9H13N.3C7H10N.2C7H9N.2C6H11N2.3C6H7N.C4H6N2.12HI/c1-10-20(3)13-18-11-17(14-21(4,5)6)12-19(16(18)2)15-22(7,8)9;1-13-15(11-18(4)5)8-14(10-17(2)3)9-16(13)12-19(6)7;1-11-7-8-12-5-3-9-15(2)10-4-6-13(11)14(12)15;1-10-6-7-11-4-2-8-14-9-3-5-12(10)13(11)14;1-5-13(4,6-2)12-9-7-8-11(3)10-12;1-4-12(5-2)11-8-6-7-10(3)9-11;1-9-5-7-10(8-6-9)11(2,3)4;1-9-6-5-7-10(8-9)11(2,3)4;1-8-4-6-9(7-5-8)10(2)3;1-8-5-4-6-9(7-8)10(2)3;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-7-4-5-8(6,2)3;1-6-7(2)4-5-8(6)3;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-4-5-2-3-6-4;;;;;;;;;;;;/h11-12H,10,13-15H2,1-9H3;8-9H,10-12H2,1-7H3;7-8H,3-6,9-10H2,1-2H3;6-7H,2-5,8-9H2,1H3;7-10H,5-6H2,1-4H3;6-9H,4-5H2,1-3H3;2*5-8H,1-4H3;2*4-7H,1-3H3;3*3-6H,1-2H3;2*2-5H,8H2,1H3;2*4-5H,1-3H3;3*2-5H,1H3;2-3H,1H3,(H,5,6);12*1H/q+2;;+1;;+1;;2*+1;;;3*+1;;;2*+1;;;;;;;;;;;;;;;;/p-12.
What are the key properties of 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide?
1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide has a molecular weight of 4518.52 g/mol, XLogP of 0.55, 23 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[(dimethylamino)methyl]-4-methylphenyl]-N,N-dimethylmethanamine;N,N-diethyl-3-methylaniline;diethyl-methyl-(3-methylphenyl)azanium;1,6-dimethyl-1-azoniatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;1,4-dimethylpyridin-1-ium;[3-[[ethyl(methyl)amino]methyl]-2-methyl-5-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium;3-methylaniline;4-methylaniline;6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;2-methyl-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;N,N,3-trimethylaniline;N,N,4-trimethylaniline;1,1,2-trimethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;trimethyl-(3-methylphenyl)azanium;trimethyl-(4-methylphenyl)azanium;dodecaiodide is sourced from PubChem (CID 159440865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).