bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium

C15H38N3+3 — CID 59309258

IUPACbis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)C([N+](C)(CC)CC)[N+](C)(CC)CC
InChIInChI=1S/C15H38N3/c1-10-16(6,7)15(17(8,11-2)12-3)18(9,13-4)14-5/h15H,10-14H2,1-9H3/q+3
InChIKeyUCHGPUSTFZDFCY-UHFFFAOYSA-N
MW260.49 g/mol
LogP2.34
Rot. Bonds8

About bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium

bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium (PubChem CID 59309258) has the molecular formula C15H38N3+3 and a molecular weight of 260.49 g/mol. Its IUPAC name is bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium.

Molecular Properties

Compound Namebis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium
PubChem CID59309258
Molecular FormulaC15H38N3+3
Molecular Weight260.49 g/mol
Exact Mass260.30
IUPAC Namebis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium
SMILESCC[N+](C)(C)C([N+](C)(CC)CC)[N+](C)(CC)CC
InChIInChI=1S/C15H38N3/c1-10-16(6,7)15(17(8,11-2)12-3)18(9,13-4)14-5/h15H,10-14H2,1-9H3/q+3
InChIKeyUCHGPUSTFZDFCY-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
1-(dimethylamino)ethyl-ethyl-dimethylazanium
CID 126581656
ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium
CID 19814723
ethyl-methyl-propan-2-yl-propylazanium
CID 87299517
ethyl-dimethyl-(1-sulfopropyl)azanium hydroxide
CID 174780977
1-carboxyethyl-diethyl-methylazanium
CID 150043874
1-cyclopropylethyl-ethyl-dimethylazanium
CID 169099773
ethyl-[1-(1-methoxyethoxy)ethyl]-dimethylazanium
CID 23091880
ethyl-dimethyl-octadecan-9-ylazanium
CID 21324513
ethyl-heptan-2-yl-dimethylazanium
CID 123202760
ethyl(trimethyl)azanium;dihydrate
CID 174491612
bis[3-[dimethyl(propan-2-yl)azaniumyl]propyl]-dimethylazanium;2-[2-[2-[dimethyl(propan-2-yl)azaniumyl]ethoxy]ethoxy]ethyl-dimethyl-propan-2-ylazanium;2-[2-[dimethyl(propan-2-yl)azaniumyl]ethoxy]ethyl-dimethyl-propan-2-ylazanium;bis(2-[dimethyl(propan-2-yl)azaniumyl]ethyl-dimethyl-propan-2-ylazanium);2-[dimethyl(propan-2-yl)azaniumyl]ethyl-[2-[2-[dimethyl(propan-2-yl)azaniumyl]ethyl-dimethylazaniumyl]ethyl]-dimethylazanium;bis(3-[dimethyl(propan-2-yl)azaniumyl]propyl-dimethyl-propan-2-ylazanium);ethyl-[2-(ethyl-methyl-propan-2-ylazaniumyl)ethyl]-methyl-propan-2-ylazanium;ethyl-[3-(ethyl-methyl-propan-2-ylazaniumyl)propyl]-methyl-propan-2-ylazanium;2-hydroxyethyl-[2-(2-hydroxyethyl-methyl-propan-2-ylazaniumyl)ethyl]-methyl-propan-2-ylazanium
CID 157397420

Frequently Asked Questions

What is the IUPAC name of bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium?
The IUPAC name of bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium (CID 59309258) is bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium.
What is the SMILES notation for bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium?
The canonical SMILES for bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium is CC[N+](C)(C)C([N+](C)(CC)CC)[N+](C)(CC)CC.
What is the InChIKey of bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium?
The InChIKey is UCHGPUSTFZDFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H38N3/c1-10-16(6,7)15(17(8,11-2)12-3)18(9,13-4)14-5/h15H,10-14H2,1-9H3/q+3.
What are the key properties of bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium?
bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium has a molecular weight of 260.49 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[diethyl(methyl)azaniumyl]methyl-ethyl-dimethylazanium is sourced from PubChem (CID 59309258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).