tripentylazanium

C15H34N+ — CID 6993016

IUPACtripentylazanium
SMILESCCCCC[NH+](CCCCC)CCCCC
InChIInChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3/p+1
InChIKeyOOHAUGDGCWURIT-UHFFFAOYSA-O
MW228.44 g/mol
LogP3.44
Rot. Bonds12

About tripentylazanium

tripentylazanium (PubChem CID 6993016) has the molecular formula C15H34N+ and a molecular weight of 228.44 g/mol. Its IUPAC name is tripentylazanium.

Molecular Properties

Compound Nametripentylazanium
PubChem CID6993016
Molecular FormulaC15H34N+
Molecular Weight228.44 g/mol
Exact Mass228.27
IUPAC Nametripentylazanium
SMILESCCCCC[NH+](CCCCC)CCCCC
InChIInChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3/p+1
InChIKeyOOHAUGDGCWURIT-UHFFFAOYSA-O
XLogP3.44
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tridodecylazanium iodide
CID 23216258
trihexylazanium bromide
CID 54105866
trioctylazanium hydroxide
CID 22253318
dibutyl(octadecyl)azanium
CID 18405855
butyl-hexyl-pentylazanium chloride
CID 139955344
diethyl(tricosyl)azanium chloride
CID 141276977
dibutyl(propyl)azanium;propane
CID 176561403
dibutyl(3-hydroxypropyl)azanium
CID 36690466
dibutyl(2-hydroxyethyl)azanium
CID 18920823
tris(benzene-1,2-diolate);bis(trihexylazanium);vanadium(4+)
CID 139052518
bis(dihexadecyl(2-hydroxyethyl)azanium);sulfate
CID 139830431
hexyl-bis[2-(methoxymethoxy)ethyl]azanium
CID 168743901

Frequently Asked Questions

What is the IUPAC name of tripentylazanium?
The IUPAC name of tripentylazanium (CID 6993016) is tripentylazanium.
What is the SMILES notation for tripentylazanium?
The canonical SMILES for tripentylazanium is CCCCC[NH+](CCCCC)CCCCC.
What is the InChIKey of tripentylazanium?
The InChIKey is OOHAUGDGCWURIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3/p+1.
What are the key properties of tripentylazanium?
tripentylazanium has a molecular weight of 228.44 g/mol, XLogP of 3.44, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tripentylazanium is sourced from PubChem (CID 6993016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).