prop-1-ene;triethyl(prop-2-enyl)azanium;bromide

C12H26BrN — CID 175521328

IUPACprop-1-ene;triethyl(prop-2-enyl)azanium;bromide
SMILESC=CC.C=CC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C9H20N.C3H6.BrH/c1-5-9-10(6-2,7-3)8-4;1-3-2;/h5H,1,6-9H2,2-4H3;3H,1H2,2H3;1H/q+1;;/p-1
InChIKeyZGFUYRICCHUIPL-UHFFFAOYSA-M
MW264.25 g/mol
LogP0.25
Rot. Bonds5

About prop-1-ene;triethyl(prop-2-enyl)azanium;bromide

prop-1-ene;triethyl(prop-2-enyl)azanium;bromide (PubChem CID 175521328) has the molecular formula C12H26BrN and a molecular weight of 264.25 g/mol. Its IUPAC name is prop-1-ene;triethyl(prop-2-enyl)azanium;bromide.

Molecular Properties

Compound Nameprop-1-ene;triethyl(prop-2-enyl)azanium;bromide
PubChem CID175521328
Molecular FormulaC12H26BrN
Molecular Weight264.25 g/mol
Exact Mass263.12
IUPAC Nameprop-1-ene;triethyl(prop-2-enyl)azanium;bromide
SMILESC=CC.C=CC[N+](CC)(CC)CC.[Br-]
InChIInChI=1S/C9H20N.C3H6.BrH/c1-5-9-10(6-2,7-3)8-4;1-3-2;/h5H,1,6-9H2,2-4H3;3H,1H2,2H3;1H/q+1;;/p-1
InChIKeyZGFUYRICCHUIPL-UHFFFAOYSA-M
XLogP0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.25
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

triethyl(prop-2-enyl)azanium hexafluorophosphate
CID 175350954
prop-1-ene;tetraethylazanium
CID 159504263
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884693
dihydrogen phosphate;triethyl(prop-2-enyl)azanium
CID 173387708
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
[4-[[diethyl(prop-2-enyl)azaniumyl]methyl]phenyl]methyl-diethyl-prop-2-enylazanium bromide
CID 54610948
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
but-3-enoate;triethyl(prop-2-enyl)azanium
CID 174488923
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;triethyl(prop-2-enyl)azanium;bromide?
The IUPAC name of prop-1-ene;triethyl(prop-2-enyl)azanium;bromide (CID 175521328) is prop-1-ene;triethyl(prop-2-enyl)azanium;bromide.
What is the SMILES notation for prop-1-ene;triethyl(prop-2-enyl)azanium;bromide?
The canonical SMILES for prop-1-ene;triethyl(prop-2-enyl)azanium;bromide is C=CC.C=CC[N+](CC)(CC)CC.[Br-].
What is the InChIKey of prop-1-ene;triethyl(prop-2-enyl)azanium;bromide?
The InChIKey is ZGFUYRICCHUIPL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.C3H6.BrH/c1-5-9-10(6-2,7-3)8-4;1-3-2;/h5H,1,6-9H2,2-4H3;3H,1H2,2H3;1H/q+1;;/p-1.
What are the key properties of prop-1-ene;triethyl(prop-2-enyl)azanium;bromide?
prop-1-ene;triethyl(prop-2-enyl)azanium;bromide has a molecular weight of 264.25 g/mol, XLogP of 0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;triethyl(prop-2-enyl)azanium;bromide is sourced from PubChem (CID 175521328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).