ethyl-methyl-di(undecyl)azanium

C25H54N+ — CID 156729684

IUPACethyl-methyl-di(undecyl)azanium
SMILESCCCCCCCCCCC[N+](C)(CC)CCCCCCCCCCC
InChIInChI=1S/C25H54N/c1-5-8-10-12-14-16-18-20-22-24-26(4,7-3)25-23-21-19-17-15-13-11-9-6-2/h5-25H2,1-4H3/q+1
InChIKeyWLLJIYZWSLAIEG-UHFFFAOYSA-N
MW368.71 g/mol
LogP8.51
Rot. Bonds21

About ethyl-methyl-di(undecyl)azanium

ethyl-methyl-di(undecyl)azanium (PubChem CID 156729684) has the molecular formula C25H54N+ and a molecular weight of 368.71 g/mol. Its IUPAC name is ethyl-methyl-di(undecyl)azanium.

Molecular Properties

Compound Nameethyl-methyl-di(undecyl)azanium
PubChem CID156729684
Molecular FormulaC25H54N+
Molecular Weight368.71 g/mol
Exact Mass368.43
IUPAC Nameethyl-methyl-di(undecyl)azanium
SMILESCCCCCCCCCCC[N+](C)(CC)CCCCCCCCCCC
InChIInChI=1S/C25H54N/c1-5-8-10-12-14-16-18-20-22-24-26(4,7-3)25-23-21-19-17-15-13-11-9-6-2/h5-25H2,1-4H3/q+1
InChIKeyWLLJIYZWSLAIEG-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 58.51
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

butyl-ethyl-methyl-pentylazanium
CID 87508333
dodecyl-diethyl-methylazanium
CID 14494908
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
docosyl-diethyl-methylazanium chloride
CID 87975854
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
tris(ethyl-hexyl-methyl-pentylazanium);phosphate
CID 175528872
ethyl-hexyl-(2-hydroxyethyl)-methylazanium
CID 150177845
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
methyl-tri(undecyl)azanium bromide
CID 15066122
methyl-tri(nonyl)azanium iodide
CID 88652767

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-di(undecyl)azanium?
The IUPAC name of ethyl-methyl-di(undecyl)azanium (CID 156729684) is ethyl-methyl-di(undecyl)azanium.
What is the SMILES notation for ethyl-methyl-di(undecyl)azanium?
The canonical SMILES for ethyl-methyl-di(undecyl)azanium is CCCCCCCCCCC[N+](C)(CC)CCCCCCCCCCC.
What is the InChIKey of ethyl-methyl-di(undecyl)azanium?
The InChIKey is WLLJIYZWSLAIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N/c1-5-8-10-12-14-16-18-20-22-24-26(4,7-3)25-23-21-19-17-15-13-11-9-6-2/h5-25H2,1-4H3/q+1.
What are the key properties of ethyl-methyl-di(undecyl)azanium?
ethyl-methyl-di(undecyl)azanium has a molecular weight of 368.71 g/mol, XLogP of 8.51, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-di(undecyl)azanium is sourced from PubChem (CID 156729684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).