dodecyl-diethyl-methylazanium

C17H38N+ — CID 14494908

IUPACdodecyl-diethyl-methylazanium
SMILESCCCCCCCCCCCC[N+](C)(CC)CC
InChIInChI=1S/C17H38N/c1-5-8-9-10-11-12-13-14-15-16-17-18(4,6-2)7-3/h5-17H2,1-4H3/q+1
InChIKeyIDEJJVMHAIEVHN-UHFFFAOYSA-N
MW256.50 g/mol
LogP5.39
Rot. Bonds13

About dodecyl-diethyl-methylazanium

dodecyl-diethyl-methylazanium (PubChem CID 14494908) has the molecular formula C17H38N+ and a molecular weight of 256.50 g/mol. Its IUPAC name is dodecyl-diethyl-methylazanium.

Molecular Properties

Compound Namedodecyl-diethyl-methylazanium
PubChem CID14494908
Molecular FormulaC17H38N+
Molecular Weight256.50 g/mol
Exact Mass256.30
IUPAC Namedodecyl-diethyl-methylazanium
SMILESCCCCCCCCCCCC[N+](C)(CC)CC
InChIInChI=1S/C17H38N/c1-5-8-9-10-11-12-13-14-15-16-17-18(4,6-2)7-3/h5-17H2,1-4H3/q+1
InChIKeyIDEJJVMHAIEVHN-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.50
LogP ≤ 55.39
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

docosyl-diethyl-methylazanium chloride
CID 87975854
ethyl-methyl-di(undecyl)azanium
CID 156729684
butyl-ethyl-methyl-pentylazanium
CID 87508333
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
CID 87517181
butyl-dodecyl-methyl-octylazanium
CID 71382086
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
methyl-tri(nonyl)azanium iodide
CID 88652767
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050

Frequently Asked Questions

What is the IUPAC name of dodecyl-diethyl-methylazanium?
The IUPAC name of dodecyl-diethyl-methylazanium (CID 14494908) is dodecyl-diethyl-methylazanium.
What is the SMILES notation for dodecyl-diethyl-methylazanium?
The canonical SMILES for dodecyl-diethyl-methylazanium is CCCCCCCCCCCC[N+](C)(CC)CC.
What is the InChIKey of dodecyl-diethyl-methylazanium?
The InChIKey is IDEJJVMHAIEVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N/c1-5-8-9-10-11-12-13-14-15-16-17-18(4,6-2)7-3/h5-17H2,1-4H3/q+1.
What are the key properties of dodecyl-diethyl-methylazanium?
dodecyl-diethyl-methylazanium has a molecular weight of 256.50 g/mol, XLogP of 5.39, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-diethyl-methylazanium is sourced from PubChem (CID 14494908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).