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

C176H328N23+17 — CID 157295377

IUPAC[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(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)CCn1cc[n+](C)c1.CC(C)c1cc(C[N+]2=CCC=C2)cc(C[n+]2cc[nH]c2)c1.CC(C)c1cc(C[NH3+])cc(C[NH3+])c1.CC(C)c1ccc(C[NH3+])cc1.CC(C)c1ccc(C[n+]2cc[nH]c2)cc1.CC[N+](CC)(CC)CC1CCC(C(C)C)C1.CC[N+](CC)(CC)CC1CCC(C(C)C)CC1.CC[N+](CC)(CC)CCC(C)C.CC[N+](CC)(CC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H22N3.C16H34N.C16H28N.C15H32N.C13H22N2.C13H16N2.C12H20N2.C11H18N2.C11H26N.C10H21N.C10H15N.C9H17N2.C9H19N.C8H14N2.C5H13N/c1-15(2)18-10-16(12-20-6-3-4-7-20)9-17(11-18)13-21-8-5-19-14-21;2*1-6-17(7-2,8-3)13-15-9-11-16(12-10-15)14(4)5;1-6-16(7-2,8-3)12-14-9-10-15(11-14)13(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;1-8(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;1-9(2)4-5-11-7-6-10(3)8-11;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/h3,5-11,14-15H,4,12-13H2,1-2H3;14-16H,6-13H2,1-5H3;9-12,14H,6-8,13H2,1-5H3;13-15H,6-12H2,1-5H3;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;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;6-9H,4-5H2,1-3H3;7-9H,3-6,10H2,1-2H3;4,6-8H,3,5H2,1-2H3;5H,3-4,6H2,1-2H3/q4*+1;;;;;+1;;;+1;;;/p+11
InChIKeyBBHBQEPGMVVITJ-UHFFFAOYSA-Y
MW2766.72 g/mol
LogP33.76
Rot. Bonds55

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

[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 157295377) has the molecular formula C176H328N23+17 and a molecular weight of 2766.72 g/mol. Its IUPAC name is [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Name[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID157295377
Molecular FormulaC176H328N23+17
Molecular Weight2766.72 g/mol
Exact Mass2764.63
IUPAC Name[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(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)CCn1cc[n+](C)c1.CC(C)c1cc(C[N+]2=CCC=C2)cc(C[n+]2cc[nH]c2)c1.CC(C)c1cc(C[NH3+])cc(C[NH3+])c1.CC(C)c1ccc(C[NH3+])cc1.CC(C)c1ccc(C[n+]2cc[nH]c2)cc1.CC[N+](CC)(CC)CC1CCC(C(C)C)C1.CC[N+](CC)(CC)CC1CCC(C(C)C)CC1.CC[N+](CC)(CC)CCC(C)C.CC[N+](CC)(CC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H22N3.C16H34N.C16H28N.C15H32N.C13H22N2.C13H16N2.C12H20N2.C11H18N2.C11H26N.C10H21N.C10H15N.C9H17N2.C9H19N.C8H14N2.C5H13N/c1-15(2)18-10-16(12-20-6-3-4-7-20)9-17(11-18)13-21-8-5-19-14-21;2*1-6-17(7-2,8-3)13-15-9-11-16(12-10-15)14(4)5;1-6-16(7-2,8-3)12-14-9-10-15(11-14)13(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;1-8(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;1-9(2)4-5-11-7-6-10(3)8-11;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/h3,5-11,14-15H,4,12-13H2,1-2H3;14-16H,6-13H2,1-5H3;9-12,14H,6-8,13H2,1-5H3;13-15H,6-12H2,1-5H3;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;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;6-9H,4-5H2,1-3H3;7-9H,3-6,10H2,1-2H3;4,6-8H,3,5H2,1-2H3;5H,3-4,6H2,1-2H3/q4*+1;;;;;+1;;;+1;;;/p+11
InChIKeyBBHBQEPGMVVITJ-UHFFFAOYSA-Y
XLogP33.76
TPSA276.01 Ų
H-Bond Donors11
H-Bond Acceptors1
Rotatable Bonds55
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002766.72
LogP ≤ 533.76
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 [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[3,5-bis[[(1-methylimidazol-2-yl)methylamino]methyl]phenyl]-5-[[(1-methylimidazol-2-yl)methylamino]methyl]phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 155532364
10,17,34,41-Tetraza-7,20,31,44-tetrazoniaundecacyclo[44.2.2.22,5.212,15.222,25.226,29.236,39.17,10.117,20.131,34.141,44]tetrahexaconta-1(49),2(64),3,5(63),7(62),8,12,14,18,20(59),22,24,26(56),27,29(55),31(54),32,36(53),37,39(52),42,44(51),46(50),47,57,60-hexacosaene tetrachloride
CID 172451899
11,18,36,43-Tetraza-8,21,33,46-tetrazoniaundecacyclo[46.2.2.23,6.213,16.223,26.228,31.238,41.18,11.118,21.133,36.143,46]hexahexaconta-1(50),3(66),4,6(65),8(64),9,13(63),14,16(62),19,21(61),23(60),24,26(59),28,30,33(56),34,38,40,44,46(53),48,51,54,57-hexacosaene tetrachloride
CID 172463600
N,N-bis[[3-(1H-imidazol-3-ium-3-ylmethyl)phenyl]methyl]-1-[3-(imidazol-1-ylmethyl)phenyl]methanamine;N-[[3-(1H-imidazol-3-ium-3-ylmethyl)phenyl]methyl]-1-[3-(imidazol-1-ylmethyl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine;triperchlorate
CID 139178419
bis(1-[[4-[4-(1H-imidazol-3-ium-3-ylmethyl)phenyl]phenyl]methyl]imidazole) dihexafluorophosphate
CID 139194704
2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole
CID 58554891
1-[[4,5-bis(1H-imidazol-3-ium-3-ylmethyl)-2-(imidazol-1-ylmethyl)phenyl]methyl]imidazole
CID 58721007
2-[(2S,4S)-4-methylpyrrolidin-2-yl]-5-[6-[6-[4-[2-[(2S,4S)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole
CID 90385475
2-[3-benzyl-5-(1,2-diphenylpropan-2-yl)-2-octadecyl-4-(3-octyl-1H-imidazol-3-ium-2-yl)-1-[3-(3-octyl-1H-imidazol-3-ium-2-yl)-1,2-diphenylicosan-2-yl]-3-phenyltetracosyl]-3-octyl-1H-imidazol-3-ium
CID 91003286
2-cyclopentyl-5-methyl-4-[4-[4-[5-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazole;2-cyclopentyl-5-methyl-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
CID 91341746
1-Benzyl-3-[[4-[[3-[2-[2-[2-[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-3-ium-1-yl]ethyl]phenyl]ethyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium
CID 123558572
1-[[4-[[3-[[4-[(3-Benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium
CID 123609401

Frequently Asked Questions

What is the IUPAC name of [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 157295377) is [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium is 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)CCn1cc[n+](C)c1.CC(C)c1cc(C[N+]2=CCC=C2)cc(C[n+]2cc[nH]c2)c1.CC(C)c1cc(C[NH3+])cc(C[NH3+])c1.CC(C)c1ccc(C[NH3+])cc1.CC(C)c1ccc(C[n+]2cc[nH]c2)cc1.CC[N+](CC)(CC)CC1CCC(C(C)C)C1.CC[N+](CC)(CC)CC1CCC(C(C)C)CC1.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;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is BBHBQEPGMVVITJ-UHFFFAOYSA-Y. The full InChI is InChI=1S/C18H22N3.C16H34N.C16H28N.C15H32N.C13H22N2.C13H16N2.C12H20N2.C11H18N2.C11H26N.C10H21N.C10H15N.C9H17N2.C9H19N.C8H14N2.C5H13N/c1-15(2)18-10-16(12-20-6-3-4-7-20)9-17(11-18)13-21-8-5-19-14-21;2*1-6-17(7-2,8-3)13-15-9-11-16(12-10-15)14(4)5;1-6-16(7-2,8-3)12-14-9-10-15(11-14)13(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;1-8(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;1-9(2)4-5-11-7-6-10(3)8-11;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/h3,5-11,14-15H,4,12-13H2,1-2H3;14-16H,6-13H2,1-5H3;9-12,14H,6-8,13H2,1-5H3;13-15H,6-12H2,1-5H3;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;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;6-9H,4-5H2,1-3H3;7-9H,3-6,10H2,1-2H3;4,6-8H,3,5H2,1-2H3;5H,3-4,6H2,1-2H3/q4*+1;;;;;+1;;;+1;;;/p+11.
What are the key properties of [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium?
[3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 2766.72 g/mol, XLogP of 33.76, 55 rotatable bonds, 11 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azaniumylmethyl)-5-propan-2-ylphenyl]methylazanium;3-methylbutylazanium;3-(3-methylbutyl)-1H-imidazol-3-ium;1-methyl-3-(3-methylbutyl)imidazol-1-ium;(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;3-[[3-propan-2-yl-5-(3H-pyrrol-1-ium-1-ylmethyl)phenyl]methyl]-1H-imidazol-3-ium;triethyl(3-methylbutyl)azanium;triethyl-[(4-propan-2-ylcyclohexyl)methyl]azanium;triethyl-[(3-propan-2-ylcyclopentyl)methyl]azanium;triethyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 157295377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).