dibutyl(propyl)azanium;propane

C14H34N+ — CID 176561403

IUPACdibutyl(propyl)azanium;propane
SMILESCCC.CCCC[NH+](CCC)CCCC
InChIInChI=1S/C11H25N.C3H8/c1-4-7-10-12(9-6-3)11-8-5-2;1-3-2/h4-11H2,1-3H3;3H2,1-2H3/p+1
InChIKeyYBDHLWFSAWLRLW-UHFFFAOYSA-O
MW216.43 g/mol
LogP3.30
Rot. Bonds8

About dibutyl(propyl)azanium;propane

dibutyl(propyl)azanium;propane (PubChem CID 176561403) has the molecular formula C14H34N+ and a molecular weight of 216.43 g/mol. Its IUPAC name is dibutyl(propyl)azanium;propane.

Molecular Properties

Compound Namedibutyl(propyl)azanium;propane
PubChem CID176561403
Molecular FormulaC14H34N+
Molecular Weight216.43 g/mol
Exact Mass216.27
IUPAC Namedibutyl(propyl)azanium;propane
SMILESCCC.CCCC[NH+](CCC)CCCC
InChIInChI=1S/C11H25N.C3H8/c1-4-7-10-12(9-6-3)11-8-5-2;1-3-2/h4-11H2,1-3H3;3H2,1-2H3/p+1
InChIKeyYBDHLWFSAWLRLW-UHFFFAOYSA-O
XLogP3.30
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

dibutyl(octadecyl)azanium
CID 18405855
tripentylazanium
CID 6993016
butyl-hexyl-pentylazanium chloride
CID 139955344
dibutyl(3-hydroxypropyl)azanium
CID 36690466
dibutyl(2-hydroxyethyl)azanium
CID 18920823
tridodecylazanium iodide
CID 23216258
trihexylazanium bromide
CID 54105866
trioctylazanium hydroxide
CID 22253318
hexafluoroarsenic(1-);tripropylazanium
CID 45048798
ethanol;tripropylazanium;hydroxide
CID 21313535
dibutyl(2-hexoxyethyl)azanium chloride
CID 18529341
5-(dibutylazaniumyl)pentanoate
CID 28983390

Frequently Asked Questions

What is the IUPAC name of dibutyl(propyl)azanium;propane?
The IUPAC name of dibutyl(propyl)azanium;propane (CID 176561403) is dibutyl(propyl)azanium;propane.
What is the SMILES notation for dibutyl(propyl)azanium;propane?
The canonical SMILES for dibutyl(propyl)azanium;propane is CCC.CCCC[NH+](CCC)CCCC.
What is the InChIKey of dibutyl(propyl)azanium;propane?
The InChIKey is YBDHLWFSAWLRLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H25N.C3H8/c1-4-7-10-12(9-6-3)11-8-5-2;1-3-2/h4-11H2,1-3H3;3H2,1-2H3/p+1.
What are the key properties of dibutyl(propyl)azanium;propane?
dibutyl(propyl)azanium;propane has a molecular weight of 216.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(propyl)azanium;propane is sourced from PubChem (CID 176561403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).