dibutyl-methyl-pentylazanium

C14H32N+ — CID 21452154

IUPACdibutyl-methyl-pentylazanium
SMILESCCCCC[N+](C)(CCCC)CCCC
InChIInChI=1S/C14H32N/c1-5-8-11-14-15(4,12-9-6-2)13-10-7-3/h5-14H2,1-4H3/q+1
InChIKeyCJMALQPKCBISHD-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.22
Rot. Bonds10

About dibutyl-methyl-pentylazanium

dibutyl-methyl-pentylazanium (PubChem CID 21452154) has the molecular formula C14H32N+ and a molecular weight of 214.42 g/mol. Its IUPAC name is dibutyl-methyl-pentylazanium.

Molecular Properties

Compound Namedibutyl-methyl-pentylazanium
PubChem CID21452154
Molecular FormulaC14H32N+
Molecular Weight214.42 g/mol
Exact Mass214.25
IUPAC Namedibutyl-methyl-pentylazanium
SMILESCCCCC[N+](C)(CCCC)CCCC
InChIInChI=1S/C14H32N/c1-5-8-11-14-15(4,12-9-6-2)13-10-7-3/h5-14H2,1-4H3/q+1
InChIKeyCJMALQPKCBISHD-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.22
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-dodecyl-methyl-octylazanium
CID 71382086
heptadecyl-dihexadecyl-methylazanium
CID 174998798
dihexyl-methyl-pentylazanium
CID 23534989
decyl-heptyl-hexyl-methylazanium
CID 87904248
methyl-tri(nonyl)azanium iodide
CID 88652767
methyl-[2-[methyl(dioctyl)azaniumyl]ethyl]-dioctylazanium
CID 19839253
triheptyl(methyl)azanium hydroxide
CID 87534234
trihexyl(methyl)azanium iodide
CID 87252050
methyl(trioctyl)azanium;hydrochloride
CID 174428259
azane;methyl-tri(tetradecyl)azanium
CID 172739350
methyl-tri(undecyl)azanium bromide
CID 15066122
azane;tridodecyl(methyl)azanium;hydrobromide
CID 175325392

Frequently Asked Questions

What is the IUPAC name of dibutyl-methyl-pentylazanium?
The IUPAC name of dibutyl-methyl-pentylazanium (CID 21452154) is dibutyl-methyl-pentylazanium.
What is the SMILES notation for dibutyl-methyl-pentylazanium?
The canonical SMILES for dibutyl-methyl-pentylazanium is CCCCC[N+](C)(CCCC)CCCC.
What is the InChIKey of dibutyl-methyl-pentylazanium?
The InChIKey is CJMALQPKCBISHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N/c1-5-8-11-14-15(4,12-9-6-2)13-10-7-3/h5-14H2,1-4H3/q+1.
What are the key properties of dibutyl-methyl-pentylazanium?
dibutyl-methyl-pentylazanium has a molecular weight of 214.42 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-methyl-pentylazanium is sourced from PubChem (CID 21452154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).