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

C197H389N23+16 — CID 157242089

IUPACcyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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.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[n+]1cc[nH]c1.CC(C)CC[n+]1ccn(-c2ccc(C(C)C)cc2)c1.CC(C)c1cc(C[n+]2cc[nH]c2)cc(C[n+]2cc[nH]c2)c1.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.CCc1cc(C[NH2+]C)cc(C(C)C)c1.C[NH2+]CCC(C)C
InChIInChI=1S/C17H20N4.C17H25N2.C16H34N.C16H28N.C13H22N2.C13H16N2.C13H21N.C12H20N2.C12H26N.C11H26N.C10H21N.C10H15N.C9H19N.C8H14N2.C6H15N.14CH4/c1-14(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;1-5-11-6-12(9-14-4)8-13(7-11)10(2)3;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;1-6-12(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;1-6(2)4-5-7-3;;;;;;;;;;;;;;/h3-9,12-14H,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;6-8,10,14H,5,9H2,1-4H3;5-6,9-12H,3-4,7-8H2,1-2H3;12H,4-11H2,1-3H3;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;6-7H,4-5H2,1-3H3;14*1H4/q;3*+1;;;;;2*+1;;;;;;;;;;;;;;;;;;;/p+11
InChIKeyAVIIHXWOFLPBEL-UHFFFAOYSA-Y
MW3080.44 g/mol
LogP45.25
Rot. Bonds58

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

cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 157242089) has the molecular formula C197H389N23+16 and a molecular weight of 3080.44 g/mol. Its IUPAC name is cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 Namecyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 CID157242089
Molecular FormulaC197H389N23+16
Molecular Weight3080.44 g/mol
Exact Mass3078.11
IUPAC Namecyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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.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[n+]1cc[nH]c1.CC(C)CC[n+]1ccn(-c2ccc(C(C)C)cc2)c1.CC(C)c1cc(C[n+]2cc[nH]c2)cc(C[n+]2cc[nH]c2)c1.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.CCc1cc(C[NH2+]C)cc(C(C)C)c1.C[NH2+]CCC(C)C
InChIInChI=1S/C17H20N4.C17H25N2.C16H34N.C16H28N.C13H22N2.C13H16N2.C13H21N.C12H20N2.C12H26N.C11H26N.C10H21N.C10H15N.C9H19N.C8H14N2.C6H15N.14CH4/c1-14(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;1-5-11-6-12(9-14-4)8-13(7-11)10(2)3;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;1-6-12(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;1-6(2)4-5-7-3;;;;;;;;;;;;;;/h3-9,12-14H,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;6-8,10,14H,5,9H2,1-4H3;5-6,9-12H,3-4,7-8H2,1-2H3;12H,4-11H2,1-3H3;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;6-7H,4-5H2,1-3H3;14*1H4/q;3*+1;;;;;2*+1;;;;;;;;;;;;;;;;;;;/p+11
InChIKeyAVIIHXWOFLPBEL-UHFFFAOYSA-Y
XLogP45.25
TPSA242.97 Ų
H-Bond Donors11
H-Bond Acceptors1
Rotatable Bonds58
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003080.44
LogP ≤ 545.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 157242089) is cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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.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[n+]1cc[nH]c1.CC(C)CC[n+]1ccn(-c2ccc(C(C)C)cc2)c1.CC(C)c1cc(C[n+]2cc[nH]c2)cc(C[n+]2cc[nH]c2)c1.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.CCc1cc(C[NH2+]C)cc(C(C)C)c1.C[NH2+]CCC(C)C.
What is the InChIKey of cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 AVIIHXWOFLPBEL-UHFFFAOYSA-Y. The full InChI is InChI=1S/C17H20N4.C17H25N2.C16H34N.C16H28N.C13H22N2.C13H16N2.C13H21N.C12H20N2.C12H26N.C11H26N.C10H21N.C10H15N.C9H19N.C8H14N2.C6H15N.14CH4/c1-14(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;1-5-11-6-12(9-14-4)8-13(7-11)10(2)3;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;1-6-12(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;1-6(2)4-5-7-3;;;;;;;;;;;;;;/h3-9,12-14H,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;6-8,10,14H,5,9H2,1-4H3;5-6,9-12H,3-4,7-8H2,1-2H3;12H,4-11H2,1-3H3;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;6-7H,4-5H2,1-3H3;14*1H4/q;3*+1;;;;;2*+1;;;;;;;;;;;;;;;;;;;/p+11.
What are the key properties of cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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?
cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 3080.44 g/mol, XLogP of 45.25, 58 rotatable bonds, 11 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl(triethyl)azanium;(3-ethyl-5-propan-2-ylphenyl)methyl-methylazanium;3-[[3-(1H-imidazol-3-ium-3-ylmethyl)-5-propan-2-ylphenyl]methyl]-1H-imidazol-3-ium;methane;3-(3-methylbutyl)-1H-imidazol-3-ium;1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)imidazol-1-ium;methyl(3-methylbutyl)azanium;(4-propan-2-ylcyclohexyl)methylazanium;3-[(4-propan-2-ylcyclohexyl)methyl]-1H-imidazol-3-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 157242089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).