prop-1-ene;tetraethylazanium

C11H26N+ — CID 159504263

IUPACprop-1-ene;tetraethylazanium
SMILESC=CC.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C3H6/c1-5-9(6-2,7-3)8-4;1-3-2/h5-8H2,1-4H3;3H,1H2,2H3/q+1;
InChIKeyLZTXUGBJZIVNKF-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.08
Rot. Bonds4

About prop-1-ene;tetraethylazanium

prop-1-ene;tetraethylazanium (PubChem CID 159504263) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is prop-1-ene;tetraethylazanium.

Molecular Properties

Compound Nameprop-1-ene;tetraethylazanium
PubChem CID159504263
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Nameprop-1-ene;tetraethylazanium
SMILESC=CC.CC[N+](CC)(CC)CC
InChIInChI=1S/C8H20N.C3H6/c1-5-9(6-2,7-3)8-4;1-3-2/h5-8H2,1-4H3;3H,1H2,2H3/q+1;
InChIKeyLZTXUGBJZIVNKF-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-1-ene;triethyl(prop-2-enyl)azanium;bromide
CID 175521328
acetaldehyde;tetraethylazanium
CID 57468225
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
tetraethylazanium;fluoride;dihydrate
CID 2776564
prop-2-enamide;tetraethylazanium
CID 160757497
methane;prop-1-ene;sulfane
CID 20979358
prop-1-ene
CID 162178440
ethanamine;prop-1-ene
CID 142862814
ethylphosphane;prop-1-ene
CID 91599859
methanol;tetraethylazanium;hydroxide
CID 159654840
methylazanium;tetraethylazanium;chloride;iodide
CID 172809050

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;tetraethylazanium?
The IUPAC name of prop-1-ene;tetraethylazanium (CID 159504263) is prop-1-ene;tetraethylazanium.
What is the SMILES notation for prop-1-ene;tetraethylazanium?
The canonical SMILES for prop-1-ene;tetraethylazanium is C=CC.CC[N+](CC)(CC)CC.
What is the InChIKey of prop-1-ene;tetraethylazanium?
The InChIKey is LZTXUGBJZIVNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C3H6/c1-5-9(6-2,7-3)8-4;1-3-2/h5-8H2,1-4H3;3H,1H2,2H3/q+1;.
What are the key properties of prop-1-ene;tetraethylazanium?
prop-1-ene;tetraethylazanium has a molecular weight of 172.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;tetraethylazanium is sourced from PubChem (CID 159504263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).