tetrabutylazanium;1,2-xylene

C24H46N+ — CID 69453766

IUPACtetrabutylazanium;1,2-xylene
SMILESCCCC[N+](CCCC)(CCCC)CCCC.Cc1ccccc1C
InChIInChI=1S/C16H36N.C8H10/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7-5-3-4-6-8(7)2/h5-16H2,1-4H3;3-6H,1-2H3/q+1;
InChIKeyJKNOWPFQMLFORR-UHFFFAOYSA-N
MW348.64 g/mol
LogP7.31
Rot. Bonds12

About tetrabutylazanium;1,2-xylene

tetrabutylazanium;1,2-xylene (PubChem CID 69453766) has the molecular formula C24H46N+ and a molecular weight of 348.64 g/mol. Its IUPAC name is tetrabutylazanium;1,2-xylene.

Molecular Properties

Compound Nametetrabutylazanium;1,2-xylene
PubChem CID69453766
Molecular FormulaC24H46N+
Molecular Weight348.64 g/mol
Exact Mass348.36
IUPAC Nametetrabutylazanium;1,2-xylene
SMILESCCCC[N+](CCCC)(CCCC)CCCC.Cc1ccccc1C
InChIInChI=1S/C16H36N.C8H10/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7-5-3-4-6-8(7)2/h5-16H2,1-4H3;3-6H,1-2H3/q+1;
InChIKeyJKNOWPFQMLFORR-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.64
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tetrabutylazanium;1,2-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(hexane);tris(1,2-xylene)
CID 173431292
benzenethiolate;tetrabutylazanium
CID 11772529
octan-1-ol;1,2-xylene
CID 68579692
1-methyl-2-pentylbenzene
CID 524553
benzyl-butyl-didodecylazanium
CID 156729719
tributyl(4,4,4-triphenylbutyl)azanium
CID 118467118
1,1-diphenylbutylbenzene;tetrabutylazanium
CID 173340312
dodecane;tetrabutylazanium
CID 173225937
butyl(tripentyl)azanium
CID 14022644
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
hexane;1,2,3-trimethylbenzene
CID 159405289

Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium;1,2-xylene?
The IUPAC name of tetrabutylazanium;1,2-xylene (CID 69453766) is tetrabutylazanium;1,2-xylene.
What is the SMILES notation for tetrabutylazanium;1,2-xylene?
The canonical SMILES for tetrabutylazanium;1,2-xylene is CCCC[N+](CCCC)(CCCC)CCCC.Cc1ccccc1C.
What is the InChIKey of tetrabutylazanium;1,2-xylene?
The InChIKey is JKNOWPFQMLFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.C8H10/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7-5-3-4-6-8(7)2/h5-16H2,1-4H3;3-6H,1-2H3/q+1;.
What are the key properties of tetrabutylazanium;1,2-xylene?
tetrabutylazanium;1,2-xylene has a molecular weight of 348.64 g/mol, XLogP of 7.31, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;1,2-xylene is sourced from PubChem (CID 69453766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).