6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium

C35H50N4O4+2 — CID 10985526

IUPAC6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium
SMILESCc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O
InChIInChI=1S/C35H50N4O4/c1-26-17-18-29-30(23-26)34(43)36(31(29)40)19-14-22-38(4,5)20-12-8-9-13-21-39(6,7)25-35(2,3)24-37-32(41)27-15-10-11-16-28(27)33(37)42/h10-11,15-18,23H,8-9,12-14,19-22,24-25H2,1-7H3/q+2
InChIKeyHTUUWAGTSFXDLB-UHFFFAOYSA-N
MW590.81 g/mol
LogP5.02
Rot. Bonds15

About 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium

6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium (PubChem CID 10985526) has the molecular formula C35H50N4O4+2 and a molecular weight of 590.81 g/mol. Its IUPAC name is 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium.

Molecular Properties

Compound Name6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium
PubChem CID10985526
Molecular FormulaC35H50N4O4+2
Molecular Weight590.81 g/mol
Exact Mass590.38
IUPAC Name6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium
SMILESCc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O
InChIInChI=1S/C35H50N4O4/c1-26-17-18-29-30(23-26)34(43)36(31(29)40)19-14-22-38(4,5)20-12-8-9-13-21-39(6,7)25-35(2,3)24-37-32(41)27-15-10-11-16-28(27)33(37)42/h10-11,15-18,23H,8-9,12-14,19-22,24-25H2,1-7H3/q+2
InChIKeyHTUUWAGTSFXDLB-UHFFFAOYSA-N
XLogP5.02
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium with MolForge

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Related Compounds

N,N'-Trimethylenediphthalimide
CID 248109
Hexamethylenebis(dimethyl-(3-phthalimidopropyl)ammonium bromide)
CID 167961
N-(3-Phenylallyl)phthalimide
CID 5389074
Naphmethonium
CID 11967180
3-(1,3-Dioxoisoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 167962
2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,3-dione
CID 15153354
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
2-[2-(1-Cyclohexen-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 572777
N-phenethyl phthalimide
CID 348641
2-(1-phenylpropan-2-yl)-1H-isoindole-1,3(2H)-dione
CID 2912769
Benzylphthalimide
CID 75059
1,4-Diphthalimido-2-butyne
CID 232728

Frequently Asked Questions

What is the IUPAC name of 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium?
The IUPAC name of 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium (CID 10985526) is 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium.
What is the SMILES notation for 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium?
The canonical SMILES for 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium is Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O.
What is the InChIKey of 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium?
The InChIKey is HTUUWAGTSFXDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N4O4/c1-26-17-18-29-30(23-26)34(43)36(31(29)40)19-14-22-38(4,5)20-12-8-9-13-21-39(6,7)25-35(2,3)24-37-32(41)27-15-10-11-16-28(27)33(37)42/h10-11,15-18,23H,8-9,12-14,19-22,24-25H2,1-7H3/q+2.
What are the key properties of 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium?
6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium has a molecular weight of 590.81 g/mol, XLogP of 5.02, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-[3-(1,3-dioxoisoindol-2-yl)-2,2-dimethylpropyl]-dimethylazanium is sourced from PubChem (CID 10985526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).