3-cyanopropyl(triethyl)azanium

C10H21N2+ — CID 21326202

IUPAC3-cyanopropyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CCCC#N
InChIInChI=1S/C10H21N2/c1-4-12(5-2,6-3)10-8-7-9-11/h4-8,10H2,1-3H3/q+1
InChIKeyXUEAHXYEHPZVAC-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.17
Rot. Bonds6

About 3-cyanopropyl(triethyl)azanium

3-cyanopropyl(triethyl)azanium (PubChem CID 21326202) has the molecular formula C10H21N2+ and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-cyanopropyl(triethyl)azanium.

Molecular Properties

Compound Name3-cyanopropyl(triethyl)azanium
PubChem CID21326202
Molecular FormulaC10H21N2+
Molecular Weight169.29 g/mol
Exact Mass169.17
IUPAC Name3-cyanopropyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CCCC#N
InChIInChI=1S/C10H21N2/c1-4-12(5-2,6-3)10-8-7-9-11/h4-8,10H2,1-3H3/q+1
InChIKeyXUEAHXYEHPZVAC-UHFFFAOYSA-N
XLogP2.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(2-cyanoethyl(triethyl)azanium);borate
CID 159626524
cyanomethyl-[3-[cyanomethyl(diethyl)azaniumyl]propyl]-diethylazanium dichloride
CID 87699799
dibutyl-(3-cyanopropyl)-methylazanium
CID 59019089
triethyl-[15-(triethylazaniumyl)pentadecyl]azanium diiodide
CID 24840909
2-cyanoethyl-diethyl-methylazanium iodide
CID 131863694
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
triethyl(tetradecyl)azanium
CID 28911
henicosanedinitrile
CID 87345062
triethyl-[2-(triethylazaniumyl)ethyl]azanium bromide
CID 54612490
fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)
CID 178182701
tetraethylazanium;thiocyanic acid
CID 87060166

Frequently Asked Questions

What is the IUPAC name of 3-cyanopropyl(triethyl)azanium?
The IUPAC name of 3-cyanopropyl(triethyl)azanium (CID 21326202) is 3-cyanopropyl(triethyl)azanium.
What is the SMILES notation for 3-cyanopropyl(triethyl)azanium?
The canonical SMILES for 3-cyanopropyl(triethyl)azanium is CC[N+](CC)(CC)CCCC#N.
What is the InChIKey of 3-cyanopropyl(triethyl)azanium?
The InChIKey is XUEAHXYEHPZVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2/c1-4-12(5-2,6-3)10-8-7-9-11/h4-8,10H2,1-3H3/q+1.
What are the key properties of 3-cyanopropyl(triethyl)azanium?
3-cyanopropyl(triethyl)azanium has a molecular weight of 169.29 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanopropyl(triethyl)azanium is sourced from PubChem (CID 21326202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).