dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium

C23H54N2+2 — CID 87517181

IUPACdibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
SMILESCCCCCC[N+](C)(CC)CCC.CCCC[N+](C)(CC)CCCC
InChIInChI=1S/C12H28N.C11H26N/c1-5-8-9-10-12-13(4,7-3)11-6-2;1-5-8-10-12(4,7-3)11-9-6-2/h5-12H2,1-4H3;5-11H2,1-4H3/q2*+1
InChIKeyIWMWWFGEAPHWHY-UHFFFAOYSA-N
MW358.70 g/mol
LogP6.50
Rot. Bonds15

About dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium

dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium (PubChem CID 87517181) has the molecular formula C23H54N2+2 and a molecular weight of 358.70 g/mol. Its IUPAC name is dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium.

Molecular Properties

Compound Namedibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
PubChem CID87517181
Molecular FormulaC23H54N2+2
Molecular Weight358.70 g/mol
Exact Mass358.43
IUPAC Namedibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium
SMILESCCCCCC[N+](C)(CC)CCC.CCCC[N+](C)(CC)CCCC
InChIInChI=1S/C12H28N.C11H26N/c1-5-8-9-10-12-13(4,7-3)11-6-2;1-5-8-10-12(4,7-3)11-9-6-2/h5-12H2,1-4H3;5-11H2,1-4H3/q2*+1
InChIKeyIWMWWFGEAPHWHY-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.70
LogP ≤ 56.50
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
ethyl-methyl-di(undecyl)azanium
CID 156729684
ethyl-[17-(ethyl-methyl-propylazaniumyl)heptadecyl]-methyl-propylazanium
CID 15871992
dodecyl-diethyl-methylazanium
CID 14494908
docosyl-diethyl-methylazanium chloride
CID 87975854
decyl-methyl-dipropylazanium bromide
CID 127262908
butyl-dodecyl-methyl-octylazanium
CID 71382086
dibutyl-ethyl-methylazanium chloride
CID 22486999
butyl-diethyl-methylazanium;butyl(trimethyl)azanium;decyl(trimethyl)azanium;dibutyl(dimethyl)azanium;dibutyl-ethyl-methylazanium;heptyl(trimethyl)azanium;hexyl(trimethyl)azanium;methyl(tripropyl)azanium;triethyl(methyl)azanium;trimethyl(nonyl)azanium;trimethyl(octyl)azanium
CID 162245053
tris(ethyl-hexyl-methyl-pentylazanium);phosphate
CID 175528872
ethyl-hexyl-(2-hydroxyethyl)-methylazanium
CID 150177845
heptadecyl-dihexadecyl-methylazanium
CID 174998798

Frequently Asked Questions

What is the IUPAC name of dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium?
The IUPAC name of dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium (CID 87517181) is dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium.
What is the SMILES notation for dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium?
The canonical SMILES for dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium is CCCCCC[N+](C)(CC)CCC.CCCC[N+](C)(CC)CCCC.
What is the InChIKey of dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium?
The InChIKey is IWMWWFGEAPHWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N.C11H26N/c1-5-8-9-10-12-13(4,7-3)11-6-2;1-5-8-10-12(4,7-3)11-9-6-2/h5-12H2,1-4H3;5-11H2,1-4H3/q2*+1.
What are the key properties of dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium?
dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium has a molecular weight of 358.70 g/mol, XLogP of 6.50, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-ethyl-methylazanium;ethyl-hexyl-methyl-propylazanium is sourced from PubChem (CID 87517181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).