tributyl(2-chloroethyl)azanium

C14H31ClN+ — CID 22114472

IUPACtributyl(2-chloroethyl)azanium
SMILESCCCC[N+](CCCl)(CCCC)CCCC
InChIInChI=1S/C14H31ClN/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h4-14H2,1-3H3/q+1
InChIKeyDTECLSDEDROYIA-UHFFFAOYSA-N
MW248.86 g/mol
LogP4.44
Rot. Bonds11

About tributyl(2-chloroethyl)azanium

tributyl(2-chloroethyl)azanium (PubChem CID 22114472) has the molecular formula C14H31ClN+ and a molecular weight of 248.86 g/mol. Its IUPAC name is tributyl(2-chloroethyl)azanium.

Molecular Properties

Compound Nametributyl(2-chloroethyl)azanium
PubChem CID22114472
Molecular FormulaC14H31ClN+
Molecular Weight248.86 g/mol
Exact Mass248.21
IUPAC Nametributyl(2-chloroethyl)azanium
SMILESCCCC[N+](CCCl)(CCCC)CCCC
InChIInChI=1S/C14H31ClN/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h4-14H2,1-3H3/q+1
InChIKeyDTECLSDEDROYIA-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.86
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloroethane;tetrabutylazanium;trihydrobromide
CID 175073173
dichloromethane;tetrabutylazanium;bromide
CID 159516193
bis(2-chloroethyl)-ethyl-hexadecylazanium chloride
CID 19826511
butyl-(3-chloropropyl)-dihexylazanium iodide
CID 139955210
tetrabutylazanium hydroxide
CID 2723671
tetrabutylazanium;pentahydrate
CID 173386676
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
dibutyl-(chloromethyl)-pentylazanium
CID 139954044
3-chloropropyl(trihexyl)azanium
CID 139954200
bis(tetrabutylazanium);tetrachloroplatinum(2-)
CID 87982663
silane;tetrabutylazanium;fluoride
CID 174896730

Frequently Asked Questions

What is the IUPAC name of tributyl(2-chloroethyl)azanium?
The IUPAC name of tributyl(2-chloroethyl)azanium (CID 22114472) is tributyl(2-chloroethyl)azanium.
What is the SMILES notation for tributyl(2-chloroethyl)azanium?
The canonical SMILES for tributyl(2-chloroethyl)azanium is CCCC[N+](CCCl)(CCCC)CCCC.
What is the InChIKey of tributyl(2-chloroethyl)azanium?
The InChIKey is DTECLSDEDROYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31ClN/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h4-14H2,1-3H3/q+1.
What are the key properties of tributyl(2-chloroethyl)azanium?
tributyl(2-chloroethyl)azanium has a molecular weight of 248.86 g/mol, XLogP of 4.44, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-chloroethyl)azanium is sourced from PubChem (CID 22114472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).