buta-1,3-dienyl(triethyl)azanium

C10H20N+ — CID 172833681

IUPACbuta-1,3-dienyl(triethyl)azanium
SMILESC=CC=C[N+](CC)(CC)CC
InChIInChI=1S/C10H20N/c1-5-9-10-11(6-2,7-3)8-4/h5,9-10H,1,6-8H2,2-4H3/q+1
InChIKeyYOOZJXWGULVNLD-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.56
Rot. Bonds5

About buta-1,3-dienyl(triethyl)azanium

buta-1,3-dienyl(triethyl)azanium (PubChem CID 172833681) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is buta-1,3-dienyl(triethyl)azanium.

Molecular Properties

Compound Namebuta-1,3-dienyl(triethyl)azanium
PubChem CID172833681
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Namebuta-1,3-dienyl(triethyl)azanium
SMILESC=CC=C[N+](CC)(CC)CC
InChIInChI=1S/C10H20N/c1-5-9-10-11(6-2,7-3)8-4/h5,9-10H,1,6-8H2,2-4H3/q+1
InChIKeyYOOZJXWGULVNLD-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
buta-1,3-dienyl(trimethyl)azanium bromide
CID 71380318
(3Z)-hexa-1,3,5-triene;propane;prop-1-ene
CID 142406925
but-1-ene;ethane;(3Z)-hexa-1,3,5-triene
CID 144520758
benzene;(3Z)-hexa-1,3,5-triene;propane
CID 159956951
cobalt;hexa-1,3-diene
CID 174676950
ethane;penta-1,3-diene;propane
CID 143367111
methane;(3E)-penta-1,3-diene;propane
CID 143129609
methane;penta-1,3-diene;pent-2-ene
CID 158883793
icosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91364807
deca-1,3,5,7-tetraene
CID 54238998
(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E,23E,25E)-octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 173025188

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dienyl(triethyl)azanium?
The IUPAC name of buta-1,3-dienyl(triethyl)azanium (CID 172833681) is buta-1,3-dienyl(triethyl)azanium.
What is the SMILES notation for buta-1,3-dienyl(triethyl)azanium?
The canonical SMILES for buta-1,3-dienyl(triethyl)azanium is C=CC=C[N+](CC)(CC)CC.
What is the InChIKey of buta-1,3-dienyl(triethyl)azanium?
The InChIKey is YOOZJXWGULVNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N/c1-5-9-10-11(6-2,7-3)8-4/h5,9-10H,1,6-8H2,2-4H3/q+1.
What are the key properties of buta-1,3-dienyl(triethyl)azanium?
buta-1,3-dienyl(triethyl)azanium has a molecular weight of 154.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienyl(triethyl)azanium is sourced from PubChem (CID 172833681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).