triethyl(pent-4-enyl)azanium

C11H24N+ — CID 87500309

IUPACtriethyl(pent-4-enyl)azanium
SMILESC=CCCC[N+](CC)(CC)CC
InChIInChI=1S/C11H24N/c1-5-9-10-11-12(6-2,7-3)8-4/h5H,1,6-11H2,2-4H3/q+1
InChIKeyCYGHIPPKSMRWCG-UHFFFAOYSA-N
MW170.32 g/mol
LogP2.83
Rot. Bonds7

About triethyl(pent-4-enyl)azanium

triethyl(pent-4-enyl)azanium (PubChem CID 87500309) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is triethyl(pent-4-enyl)azanium.

Molecular Properties

Compound Nametriethyl(pent-4-enyl)azanium
PubChem CID87500309
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Nametriethyl(pent-4-enyl)azanium
SMILESC=CCCC[N+](CC)(CC)CC
InChIInChI=1S/C11H24N/c1-5-9-10-11-12(6-2,7-3)8-4/h5H,1,6-11H2,2-4H3/q+1
InChIKeyCYGHIPPKSMRWCG-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl-dimethyl-pent-4-enylazanium
CID 139860339
dec-9-enyl-ethyl-dimethylazanium
CID 129287044
triethyl-[15-(triethylazaniumyl)pentadecyl]azanium diiodide
CID 24840909
N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide
CID 102116444
hex-1-ene;zinc
CID 174554611
bismuthane;oct-1-ene;sulfane
CID 174601016
but-3-enyl-didodecyl-prop-2-enylazanium
CID 175155543
4-[diethyl(2-hydroxyoct-7-enyl)azaniumyl]butanoate
CID 177435692
prop-1-ene;tetraethylazanium
CID 159504263
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884693
but-1-ene;tetrakis(hex-1-ene)
CID 22000755
octadeca-1,17-diene;tetradec-1-ene
CID 173070986

Frequently Asked Questions

What is the IUPAC name of triethyl(pent-4-enyl)azanium?
The IUPAC name of triethyl(pent-4-enyl)azanium (CID 87500309) is triethyl(pent-4-enyl)azanium.
What is the SMILES notation for triethyl(pent-4-enyl)azanium?
The canonical SMILES for triethyl(pent-4-enyl)azanium is C=CCCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl(pent-4-enyl)azanium?
The InChIKey is CYGHIPPKSMRWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-5-9-10-11-12(6-2,7-3)8-4/h5H,1,6-11H2,2-4H3/q+1.
What are the key properties of triethyl(pent-4-enyl)azanium?
triethyl(pent-4-enyl)azanium has a molecular weight of 170.32 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(pent-4-enyl)azanium is sourced from PubChem (CID 87500309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).