2-aminoethyl(triethyl)azanium chloride

C8H21ClN2 — CID 86212425

IUPAC2-aminoethyl(triethyl)azanium chloride
SMILESCC[N+](CC)(CC)CCN.[Cl-]
InChIInChI=1S/C8H21N2.ClH/c1-4-10(5-2,6-3)8-7-9;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyDKGCUJMIKNKXEV-UHFFFAOYSA-M
MW180.72 g/mol
LogP-2.17
Rot. Bonds5

About 2-aminoethyl(triethyl)azanium chloride

2-aminoethyl(triethyl)azanium chloride (PubChem CID 86212425) has the molecular formula C8H21ClN2 and a molecular weight of 180.72 g/mol. Its IUPAC name is 2-aminoethyl(triethyl)azanium chloride.

Molecular Properties

Compound Name2-aminoethyl(triethyl)azanium chloride
PubChem CID86212425
Molecular FormulaC8H21ClN2
Molecular Weight180.72 g/mol
Exact Mass180.14
IUPAC Name2-aminoethyl(triethyl)azanium chloride
SMILESCC[N+](CC)(CC)CCN.[Cl-]
InChIInChI=1S/C8H21N2.ClH/c1-4-10(5-2,6-3)8-7-9;/h4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyDKGCUJMIKNKXEV-UHFFFAOYSA-M
XLogP-2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.72
LogP ≤ 5-2.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
CID 54612490
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(icosyl)azanium chloride
CID 141198165
docosyl(triethyl)azanium chloride
CID 42638705
methylazanium;tetraethylazanium;chloride;iodide
CID 172809050
triethyl-[15-(triethylazaniumyl)pentadecyl]azanium diiodide
CID 24840909
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
ethanamine;yttrium
CID 158796558
triethyl(2-methoxyethyl)azanium
CID 3026728
triethyl(tetradecyl)azanium
CID 28911

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(triethyl)azanium chloride?
The IUPAC name of 2-aminoethyl(triethyl)azanium chloride (CID 86212425) is 2-aminoethyl(triethyl)azanium chloride.
What is the SMILES notation for 2-aminoethyl(triethyl)azanium chloride?
The canonical SMILES for 2-aminoethyl(triethyl)azanium chloride is CC[N+](CC)(CC)CCN.[Cl-].
What is the InChIKey of 2-aminoethyl(triethyl)azanium chloride?
The InChIKey is DKGCUJMIKNKXEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H21N2.ClH/c1-4-10(5-2,6-3)8-7-9;/h4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-aminoethyl(triethyl)azanium chloride?
2-aminoethyl(triethyl)azanium chloride has a molecular weight of 180.72 g/mol, XLogP of -2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(triethyl)azanium chloride is sourced from PubChem (CID 86212425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).