[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium

C220H434N26+18 — CID 157124278

IUPAC[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(C[NH3+])C1.CC(C)C1CCC(C[NH3+])CC1.CC(C)C1CCC(C[n+]2cc[nH]c2)C1.CC(C)C1CCC(C[n+]2cc[nH]c2)CC1.CC(C)CC[NH3+].CC(C)CC[n+]1cc[nH]c1.CC(C)CC[n+]1ccn(-c2ccc(C(C)C)cc2)c1.CC(C)c1cc(C[NH3+])cc(C[NH3+])c1.CC(C)c1cc(C[n+]2cc[nH]c2)cc(C[n+]2cc[nH]c2)c1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)CC3)c2)cc1.CC(C)c1ccc(C[NH3+])cc1.CC(C)c1ccc(C[n+]2cc[nH]c2)cc1.CC[N+](CC)(CC)CC1CCC(C(C)C)CC1.CC[N+](CC)(CC)CC1CCCC1.CC[N+](CC)(CC)CCC(C)C.CC[N+](CC)(CC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C22H33N2.C17H20N4.C17H25N2.C16H34N.C16H28N.C13H22N2.C13H16N2.C12H20N2.C12H26N.C11H18N2.C11H26N.C10H21N.C10H15N.C9H19N.C8H14N2.C5H13N.18CH4/c1-17(2)20-7-5-19(6-8-20)15-23-13-14-24(16-23)22-11-9-21(10-12-22)18(3)4;1-14(2)17-8-15(10-20-5-3-18-12-20)7-16(9-17)11-21-6-4-19-13-21;1-14(2)9-10-18-11-12-19(13-18)17-7-5-16(6-8-17)15(3)4;2*1-6-17(7-2,8-3)13-15-9-11-16(12-10-15)14(4)5;2*1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-10(2)12-4-3-11(7-12)8-14-6-5-13-9-14;1-4-13(5-2,6-3)11-12-9-7-8-10-12;1-8(2)11-4-9(6-12)3-10(5-11)7-13;1-6-12(7-2,8-3)10-9-11(4)5;2*1-8(2)10-5-3-9(7-11)4-6-10;1-7(2)9-4-3-8(5-9)6-10;1-8(2)3-5-10-6-4-9-7-10;1-5(2)3-4-6;;;;;;;;;;;;;;;;;;/h9-14,16-20H,5-8,15H2,1-4H3;3-9,12-14H,10-11H2,1-2H3;5-8,11-15H,9-10H2,1-4H3;14-16H,6-13H2,1-5H3;9-12,14H,6-8,13H2,1-5H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;12H,4-11H2,1-3H3;3-5,8H,6-7,12-13H2,1-2H3;11H,6-10H2,1-5H3;8-10H,3-7,11H2,1-2H3;3-6,8H,7,11H2,1-2H3;7-9H,3-6,10H2,1-2H3;4,6-8H,3,5H2,1-2H3;5H,3-4,6H2,1-2H3;18*1H4/q+1;;3*+1;;;;+1;;+1;;;;;;;;;;;;;;;;;;;;;;;/p+12
InChIKeyAIIHIKGFGZRGQK-UHFFFAOYSA-Z
MW3444.07 g/mol
LogP51.42
Rot. Bonds61

About [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium

[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 157124278) has the molecular formula C220H434N26+18 and a molecular weight of 3444.07 g/mol. Its IUPAC name is [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Name[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID157124278
Molecular FormulaC220H434N26+18
Molecular Weight3444.07 g/mol
Exact Mass3441.47
IUPAC Name[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(C[NH3+])C1.CC(C)C1CCC(C[NH3+])CC1.CC(C)C1CCC(C[n+]2cc[nH]c2)C1.CC(C)C1CCC(C[n+]2cc[nH]c2)CC1.CC(C)CC[NH3+].CC(C)CC[n+]1cc[nH]c1.CC(C)CC[n+]1ccn(-c2ccc(C(C)C)cc2)c1.CC(C)c1cc(C[NH3+])cc(C[NH3+])c1.CC(C)c1cc(C[n+]2cc[nH]c2)cc(C[n+]2cc[nH]c2)c1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)CC3)c2)cc1.CC(C)c1ccc(C[NH3+])cc1.CC(C)c1ccc(C[n+]2cc[nH]c2)cc1.CC[N+](CC)(CC)CC1CCC(C(C)C)CC1.CC[N+](CC)(CC)CC1CCCC1.CC[N+](CC)(CC)CCC(C)C.CC[N+](CC)(CC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C22H33N2.C17H20N4.C17H25N2.C16H34N.C16H28N.C13H22N2.C13H16N2.C12H20N2.C12H26N.C11H18N2.C11H26N.C10H21N.C10H15N.C9H19N.C8H14N2.C5H13N.18CH4/c1-17(2)20-7-5-19(6-8-20)15-23-13-14-24(16-23)22-11-9-21(10-12-22)18(3)4;1-14(2)17-8-15(10-20-5-3-18-12-20)7-16(9-17)11-21-6-4-19-13-21;1-14(2)9-10-18-11-12-19(13-18)17-7-5-16(6-8-17)15(3)4;2*1-6-17(7-2,8-3)13-15-9-11-16(12-10-15)14(4)5;2*1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-10(2)12-4-3-11(7-12)8-14-6-5-13-9-14;1-4-13(5-2,6-3)11-12-9-7-8-10-12;1-8(2)11-4-9(6-12)3-10(5-11)7-13;1-6-12(7-2,8-3)10-9-11(4)5;2*1-8(2)10-5-3-9(7-11)4-6-10;1-7(2)9-4-3-8(5-9)6-10;1-8(2)3-5-10-6-4-9-7-10;1-5(2)3-4-6;;;;;;;;;;;;;;;;;;/h9-14,16-20H,5-8,15H2,1-4H3;3-9,12-14H,10-11H2,1-2H3;5-8,11-15H,9-10H2,1-4H3;14-16H,6-13H2,1-5H3;9-12,14H,6-8,13H2,1-5H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;12H,4-11H2,1-3H3;3-5,8H,6-7,12-13H2,1-2H3;11H,6-10H2,1-5H3;8-10H,3-7,11H2,1-2H3;3-6,8H,7,11H2,1-2H3;7-9H,3-6,10H2,1-2H3;4,6-8H,3,5H2,1-2H3;5H,3-4,6H2,1-2H3;18*1H4/q+1;;3*+1;;;;+1;;+1;;;;;;;;;;;;;;;;;;;;;;;/p+12
InChIKeyAIIHIKGFGZRGQK-UHFFFAOYSA-Z
XLogP51.42
TPSA301.48 Ų
H-Bond Donors12
H-Bond Acceptors2
Rotatable Bonds61
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003444.07
LogP ≤ 551.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 157124278) is [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCC(C[NH3+])C1.CC(C)C1CCC(C[NH3+])CC1.CC(C)C1CCC(C[n+]2cc[nH]c2)C1.CC(C)C1CCC(C[n+]2cc[nH]c2)CC1.CC(C)CC[NH3+].CC(C)CC[n+]1cc[nH]c1.CC(C)CC[n+]1ccn(-c2ccc(C(C)C)cc2)c1.CC(C)c1cc(C[NH3+])cc(C[NH3+])c1.CC(C)c1cc(C[n+]2cc[nH]c2)cc(C[n+]2cc[nH]c2)c1.CC(C)c1ccc(-n2cc[n+](CC3CCC(C(C)C)CC3)c2)cc1.CC(C)c1ccc(C[NH3+])cc1.CC(C)c1ccc(C[n+]2cc[nH]c2)cc1.CC[N+](CC)(CC)CC1CCC(C(C)C)CC1.CC[N+](CC)(CC)CC1CCCC1.CC[N+](CC)(CC)CCC(C)C.CC[N+](CC)(CC)Cc1ccc(C(C)C)cc1.
What is the InChIKey of [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is AIIHIKGFGZRGQK-UHFFFAOYSA-Z. The full InChI is InChI=1S/C22H33N2.C17H20N4.C17H25N2.C16H34N.C16H28N.C13H22N2.C13H16N2.C12H20N2.C12H26N.C11H18N2.C11H26N.C10H21N.C10H15N.C9H19N.C8H14N2.C5H13N.18CH4/c1-17(2)20-7-5-19(6-8-20)15-23-13-14-24(16-23)22-11-9-21(10-12-22)18(3)4;1-14(2)17-8-15(10-20-5-3-18-12-20)7-16(9-17)11-21-6-4-19-13-21;1-14(2)9-10-18-11-12-19(13-18)17-7-5-16(6-8-17)15(3)4;2*1-6-17(7-2,8-3)13-15-9-11-16(12-10-15)14(4)5;2*1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-10(2)12-4-3-11(7-12)8-14-6-5-13-9-14;1-4-13(5-2,6-3)11-12-9-7-8-10-12;1-8(2)11-4-9(6-12)3-10(5-11)7-13;1-6-12(7-2,8-3)10-9-11(4)5;2*1-8(2)10-5-3-9(7-11)4-6-10;1-7(2)9-4-3-8(5-9)6-10;1-8(2)3-5-10-6-4-9-7-10;1-5(2)3-4-6;;;;;;;;;;;;;;;;;;/h9-14,16-20H,5-8,15H2,1-4H3;3-9,12-14H,10-11H2,1-2H3;5-8,11-15H,9-10H2,1-4H3;14-16H,6-13H2,1-5H3;9-12,14H,6-8,13H2,1-5H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;12H,4-11H2,1-3H3;3-5,8H,6-7,12-13H2,1-2H3;11H,6-10H2,1-5H3;8-10H,3-7,11H2,1-2H3;3-6,8H,7,11H2,1-2H3;7-9H,3-6,10H2,1-2H3;4,6-8H,3,5H2,1-2H3;5H,3-4,6H2,1-2H3;18*1H4/q+1;;3*+1;;;;+1;;+1;;;;;;;;;;;;;;;;;;;;;;;/p+12.
What are the key properties of [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium?
[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 3444.07 g/mol, XLogP of 51.42, 61 rotatable bonds, 12 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;cyclopentylmethyl(triethyl)azanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]-3-(4-propan-2-ylphenyl)imidazol-1-ium;(3-propan-2-ylcyclopentyl)methylazanium;3-[(3-propan-2-ylcyclopentyl)methyl]-1H-imidazol-3-ium;(4-propan-2-ylphenyl)methylazanium;3-[(4-propan-2-ylphenyl)methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 157124278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).