6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium

C18H42N2+2 — CID 24833342

IUPAC6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium
SMILESCC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)C
InChIInChI=1S/C18H42N2/c1-17(2)15-19(5,6)13-11-9-10-12-14-20(7,8)16-18(3)4/h17-18H,9-16H2,1-8H3/q+2
InChIKeyXZWJYQKAKOMOGB-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.01
Rot. Bonds11

About 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium

6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium (PubChem CID 24833342) has the molecular formula C18H42N2+2 and a molecular weight of 286.55 g/mol. Its IUPAC name is 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium.

Molecular Properties

Compound Name6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium
PubChem CID24833342
Molecular FormulaC18H42N2+2
Molecular Weight286.55 g/mol
Exact Mass286.33
IUPAC Name6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium
SMILESCC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)C
InChIInChI=1S/C18H42N2/c1-17(2)15-19(5,6)13-11-9-10-12-14-20(7,8)16-18(3)4/h17-18H,9-16H2,1-8H3/q+2
InChIKeyXZWJYQKAKOMOGB-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis(7-methyloctyl)azanium chloride
CID 18689480
dimethyl-bis(16-methylheptadecyl)azanium chloride
CID 23440613
dimethyl-bis(6-methylheptyl)azanium chloride
CID 86159074
methyl-(2-methylpropyl)-dioctadecylazanium
CID 167409496
decyl-methyl-bis(2-methylpropyl)azanium
CID 176583048
ethyl-dimethyl-(16-methylheptadecyl)azanium
CID 11965084
icosyl-dimethyl-(3-methylbutyl)azanium
CID 158632854
[4-[dimethyl(tetradecyl)azaniumyl]-2,3-dihydroxybutyl]-dimethyl-tetradecylazanium
CID 101147257
hexadecyl-dimethyl-(5-methylhexyl)azanium
CID 160742680
dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium
CID 140913658
dimethyl-(2-methylpropyl)-(2-phosphonoethyl)azanium
CID 153319099
1-[dimethyl(tetradecyl)azaniumyl]propane-2-sulfonate
CID 172766429

Frequently Asked Questions

What is the IUPAC name of 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium?
The IUPAC name of 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium (CID 24833342) is 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium.
What is the SMILES notation for 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium?
The canonical SMILES for 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium is CC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)C.
What is the InChIKey of 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium?
The InChIKey is XZWJYQKAKOMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N2/c1-17(2)15-19(5,6)13-11-9-10-12-14-20(7,8)16-18(3)4/h17-18H,9-16H2,1-8H3/q+2.
What are the key properties of 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium?
6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium has a molecular weight of 286.55 g/mol, XLogP of 4.01, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium is sourced from PubChem (CID 24833342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).