dibutyl(diethyl)azanium;titanium

C12H28NTi+ — CID 175271824

IUPACdibutyl(diethyl)azanium;titanium
SMILESCCCC[N+](CC)(CC)CCCC.[Ti]
InChIInChI=1S/C12H28N.Ti/c1-5-9-11-13(7-3,8-4)12-10-6-2;/h5-12H2,1-4H3;/q+1;
InChIKeyXEIUNSFGMDIQSG-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.44
Rot. Bonds8

About dibutyl(diethyl)azanium;titanium

dibutyl(diethyl)azanium;titanium (PubChem CID 175271824) has the molecular formula C12H28NTi+ and a molecular weight of 234.23 g/mol. Its IUPAC name is dibutyl(diethyl)azanium;titanium.

Molecular Properties

Compound Namedibutyl(diethyl)azanium;titanium
PubChem CID175271824
Molecular FormulaC12H28NTi+
Molecular Weight234.23 g/mol
Exact Mass234.17
IUPAC Namedibutyl(diethyl)azanium;titanium
SMILESCCCC[N+](CC)(CC)CCCC.[Ti]
InChIInChI=1S/C12H28N.Ti/c1-5-9-11-13(7-3,8-4)12-10-6-2;/h5-12H2,1-4H3;/q+1;
InChIKeyXEIUNSFGMDIQSG-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl(dipentyl)azanium bromide
CID 87777355
dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
diethyl-di(icosyl)azanium
CID 14009114
diethyl(dioctyl)azanium fluoride
CID 19602103
dibutyl-ethyl-propylazanium hydroxide
CID 126618313
diethyl-heptyl-octylazanium bromide
CID 88763250
didodecyl(diethyl)azanium hydroxide
CID 87834319
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644

Frequently Asked Questions

What is the IUPAC name of dibutyl(diethyl)azanium;titanium?
The IUPAC name of dibutyl(diethyl)azanium;titanium (CID 175271824) is dibutyl(diethyl)azanium;titanium.
What is the SMILES notation for dibutyl(diethyl)azanium;titanium?
The canonical SMILES for dibutyl(diethyl)azanium;titanium is CCCC[N+](CC)(CC)CCCC.[Ti].
What is the InChIKey of dibutyl(diethyl)azanium;titanium?
The InChIKey is XEIUNSFGMDIQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N.Ti/c1-5-9-11-13(7-3,8-4)12-10-6-2;/h5-12H2,1-4H3;/q+1;.
What are the key properties of dibutyl(diethyl)azanium;titanium?
dibutyl(diethyl)azanium;titanium has a molecular weight of 234.23 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(diethyl)azanium;titanium is sourced from PubChem (CID 175271824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).