[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide

C110H187N7O10 — CID 158061783

IUPAC[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.CCCC[N+](CCCC)(CCCC)CCCC.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.Cc1ccc(N(CCO)CCO)cc1.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H51N.C21H16N2.C20H35NO7.C18H31N.C16H36N.C11H17NO2.H2O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-10-2-4-11(5-3-10)12(6-8-13)7-9-14;/h4-24H2,1-3H3;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;10-11H,19H2,1-9H3;5-16H2,1-4H3;2-5,13-14H,6-9H2,1H3;1H2/q;;;;+1;;/p-1
InChIKeyKPOSBBMXRXXFPO-UHFFFAOYSA-M
MW1767.74 g/mol
LogP25.23
Rot. Bonds59

About [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide (PubChem CID 158061783) has the molecular formula C110H187N7O10 and a molecular weight of 1767.74 g/mol. Its IUPAC name is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide.

Molecular Properties

Compound Name[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide
PubChem CID158061783
Molecular FormulaC110H187N7O10
Molecular Weight1767.74 g/mol
Exact Mass1766.43
IUPAC Name[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.CCCC[N+](CCCC)(CCCC)CCCC.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.Cc1ccc(N(CCO)CCO)cc1.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C24H51N.C21H16N2.C20H35NO7.C18H31N.C16H36N.C11H17NO2.H2O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-10-2-4-11(5-3-10)12(6-8-13)7-9-14;/h4-24H2,1-3H3;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;10-11H,19H2,1-9H3;5-16H2,1-4H3;2-5,13-14H,6-9H2,1H3;1H2/q;;;;+1;;/p-1
InChIKeyKPOSBBMXRXXFPO-UHFFFAOYSA-M
XLogP25.23
TPSA221.49 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds59
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001767.74
LogP ≤ 525.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(dimethylamino)phenyl]-2-[4-[(E)-3-phenoxyprop-1-enyl]phenyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
CID 44321045
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;[2,3,3,4-tetramethyl-4-(4-methylpiperazin-1-yl)sulfonylpentan-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 157484207
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 158811123
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;triphenylazanium;2,4,5-triphenyl-1H-imidazole;hydroxide
CID 161291240
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 162077507
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;9-octylheptadecane;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 165110020
N-benzyl-N-[2-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]ethyl]propan-1-amine
CID 13049066
N,N-dibenzyl-2-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]ethanamine
CID 13049067
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide
CID 157917575
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole
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N,N-dibutylaniline;N-[2-[2-[2-(2,6-dimethoxyphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine;2,6-di(propan-2-yl)aniline;2,4,5-triphenyl-1H-imidazole
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4-[6-[2-[4-[2-[2-(dimethylamino)ethoxy]ethoxy]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenol
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Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide?
The IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide (CID 158061783) is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide.
What is the SMILES notation for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide?
The canonical SMILES for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide is CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.CCCC[N+](CCCC)(CCCC)CCCC.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.Cc1ccc(N(CCO)CCO)cc1.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide?
The InChIKey is KPOSBBMXRXXFPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H51N.C21H16N2.C20H35NO7.C18H31N.C16H36N.C11H17NO2.H2O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-10-2-4-11(5-3-10)12(6-8-13)7-9-14;/h4-24H2,1-3H3;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;10-11H,19H2,1-9H3;5-16H2,1-4H3;2-5,13-14H,6-9H2,1H3;1H2/q;;;;+1;;/p-1.
What are the key properties of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide?
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide has a molecular weight of 1767.74 g/mol, XLogP of 25.23, 59 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;hydroxide is sourced from PubChem (CID 158061783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).