triethyl(penta-1,4-dien-3-yl)azanium

C11H22N+ — CID 22956718

IUPACtriethyl(penta-1,4-dien-3-yl)azanium
SMILESC=CC(C=C)[N+](CC)(CC)CC
InChIInChI=1S/C11H22N/c1-6-11(7-2)12(8-3,9-4)10-5/h6-7,11H,1-2,8-10H2,3-5H3/q+1
InChIKeyGJTLILIKLYNYKJ-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.60
Rot. Bonds6

About triethyl(penta-1,4-dien-3-yl)azanium

triethyl(penta-1,4-dien-3-yl)azanium (PubChem CID 22956718) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is triethyl(penta-1,4-dien-3-yl)azanium.

Molecular Properties

Compound Nametriethyl(penta-1,4-dien-3-yl)azanium
PubChem CID22956718
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Nametriethyl(penta-1,4-dien-3-yl)azanium
SMILESC=CC(C=C)[N+](CC)(CC)CC
InChIInChI=1S/C11H22N/c1-6-11(7-2)12(8-3,9-4)10-5/h6-7,11H,1-2,8-10H2,3-5H3/q+1
InChIKeyGJTLILIKLYNYKJ-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.60
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 triethyl(penta-1,4-dien-3-yl)azanium?
The IUPAC name of triethyl(penta-1,4-dien-3-yl)azanium (CID 22956718) is triethyl(penta-1,4-dien-3-yl)azanium.
What is the SMILES notation for triethyl(penta-1,4-dien-3-yl)azanium?
The canonical SMILES for triethyl(penta-1,4-dien-3-yl)azanium is C=CC(C=C)[N+](CC)(CC)CC.
What is the InChIKey of triethyl(penta-1,4-dien-3-yl)azanium?
The InChIKey is GJTLILIKLYNYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-6-11(7-2)12(8-3,9-4)10-5/h6-7,11H,1-2,8-10H2,3-5H3/q+1.
What are the key properties of triethyl(penta-1,4-dien-3-yl)azanium?
triethyl(penta-1,4-dien-3-yl)azanium has a molecular weight of 168.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(penta-1,4-dien-3-yl)azanium is sourced from PubChem (CID 22956718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).