but-3-en-2-yl(triethyl)azanium

C10H22N+ — CID 12981484

IUPACbut-3-en-2-yl(triethyl)azanium
SMILESC=CC(C)[N+](CC)(CC)CC
InChIInChI=1S/C10H22N/c1-6-10(5)11(7-2,8-3)9-4/h6,10H,1,7-9H2,2-5H3/q+1
InChIKeyZGGIIEJGCBFSEW-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.44
Rot. Bonds5

About but-3-en-2-yl(triethyl)azanium

but-3-en-2-yl(triethyl)azanium (PubChem CID 12981484) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is but-3-en-2-yl(triethyl)azanium.

Molecular Properties

Compound Namebut-3-en-2-yl(triethyl)azanium
PubChem CID12981484
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Namebut-3-en-2-yl(triethyl)azanium
SMILESC=CC(C)[N+](CC)(CC)CC
InChIInChI=1S/C10H22N/c1-6-10(5)11(7-2,8-3)9-4/h6,10H,1,7-9H2,2-5H3/q+1
InChIKeyZGGIIEJGCBFSEW-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of but-3-en-2-yl(triethyl)azanium?
The IUPAC name of but-3-en-2-yl(triethyl)azanium (CID 12981484) is but-3-en-2-yl(triethyl)azanium.
What is the SMILES notation for but-3-en-2-yl(triethyl)azanium?
The canonical SMILES for but-3-en-2-yl(triethyl)azanium is C=CC(C)[N+](CC)(CC)CC.
What is the InChIKey of but-3-en-2-yl(triethyl)azanium?
The InChIKey is ZGGIIEJGCBFSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-6-10(5)11(7-2,8-3)9-4/h6,10H,1,7-9H2,2-5H3/q+1.
What are the key properties of but-3-en-2-yl(triethyl)azanium?
but-3-en-2-yl(triethyl)azanium has a molecular weight of 156.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl(triethyl)azanium is sourced from PubChem (CID 12981484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).