bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium

C16H40N3+3 — CID 59309138

IUPACbis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)C([N+](C)(CC)CC)[N+](C)(CC)CC
InChIInChI=1S/C16H40N3/c1-10-17(7,11-2)16(18(8,12-3)13-4)19(9,14-5)15-6/h16H,10-15H2,1-9H3/q+3
InChIKeyVLFTTYIEBRMCTM-UHFFFAOYSA-N
MW274.52 g/mol
LogP2.73
Rot. Bonds9

About bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium

bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium (PubChem CID 59309138) has the molecular formula C16H40N3+3 and a molecular weight of 274.52 g/mol. Its IUPAC name is bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium.

Molecular Properties

Compound Namebis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
PubChem CID59309138
Molecular FormulaC16H40N3+3
Molecular Weight274.52 g/mol
Exact Mass274.32
IUPAC Namebis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
SMILESCC[N+](C)(CC)C([N+](C)(CC)CC)[N+](C)(CC)CC
InChIInChI=1S/C16H40N3/c1-10-17(7,11-2)16(18(8,12-3)13-4)19(9,14-5)15-6/h16H,10-15H2,1-9H3/q+3
InChIKeyVLFTTYIEBRMCTM-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.52
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium?
The IUPAC name of bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium (CID 59309138) is bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium.
What is the SMILES notation for bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium?
The canonical SMILES for bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium is CC[N+](C)(CC)C([N+](C)(CC)CC)[N+](C)(CC)CC.
What is the InChIKey of bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium?
The InChIKey is VLFTTYIEBRMCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N3/c1-10-17(7,11-2)16(18(8,12-3)13-4)19(9,14-5)15-6/h16H,10-15H2,1-9H3/q+3.
What are the key properties of bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium?
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium has a molecular weight of 274.52 g/mol, XLogP of 2.73, 9 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-diethyl-methylazanium is sourced from PubChem (CID 59309138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).