ethenyl-ethyl-(2-methylprop-2-enylidene)azanium

C8H14N+ — CID 18346278

IUPACethenyl-ethyl-(2-methylprop-2-enylidene)azanium
SMILESC=C/[N+](=C\C(=C)C)CC
InChIInChI=1S/C8H14N/c1-5-9(6-2)7-8(3)4/h5,7H,1,3,6H2,2,4H3/q+1/b9-7+
InChIKeyGZLIJMCMDIESCO-VQHVLOKHSA-N
MW124.21 g/mol
LogP1.81
Rot. Bonds3

About ethenyl-ethyl-(2-methylprop-2-enylidene)azanium

ethenyl-ethyl-(2-methylprop-2-enylidene)azanium (PubChem CID 18346278) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is ethenyl-ethyl-(2-methylprop-2-enylidene)azanium.

Molecular Properties

Compound Nameethenyl-ethyl-(2-methylprop-2-enylidene)azanium
PubChem CID18346278
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Nameethenyl-ethyl-(2-methylprop-2-enylidene)azanium
SMILESC=C/[N+](=C\C(=C)C)CC
InChIInChI=1S/C8H14N/c1-5-9(6-2)7-8(3)4/h5,7H,1,3,6H2,2,4H3/q+1/b9-7+
InChIKeyGZLIJMCMDIESCO-VQHVLOKHSA-N
XLogP1.81
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Dimethylamino)methylene]-N1,N1,N3,N3-tetramethyl-1,3-propanediaminium
CID 10981176
1-Dimethylamino-2-methylpropenylidenedimethylammonium iodide
CID 129808787
[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-dimethylazanium
CID 10803096
[(Z)-3-(dimethylamino)-2-methylprop-2-enylidene]-dimethylazanium
CID 12226447
(Z)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
CID 20667854
Methyl-(2-methyl-3-methyliminoprop-1-enyl)azanide
CID 58028323
(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
CID 59959971
5-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 87085174
(Z)-N-ethenyl-2-methylbut-2-en-1-imine
CID 88853925
2-methyl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 88885972
N-ethenyl-2-methylidenebutan-1-imine
CID 88966217
methyl-(2-methylprop-2-enylidene)-[(Z)-prop-1-enyl]azanium
CID 89240338

Frequently Asked Questions

What is the IUPAC name of ethenyl-ethyl-(2-methylprop-2-enylidene)azanium?
The IUPAC name of ethenyl-ethyl-(2-methylprop-2-enylidene)azanium (CID 18346278) is ethenyl-ethyl-(2-methylprop-2-enylidene)azanium.
What is the SMILES notation for ethenyl-ethyl-(2-methylprop-2-enylidene)azanium?
The canonical SMILES for ethenyl-ethyl-(2-methylprop-2-enylidene)azanium is C=C/[N+](=C\C(=C)C)CC.
What is the InChIKey of ethenyl-ethyl-(2-methylprop-2-enylidene)azanium?
The InChIKey is GZLIJMCMDIESCO-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H14N/c1-5-9(6-2)7-8(3)4/h5,7H,1,3,6H2,2,4H3/q+1/b9-7+.
What are the key properties of ethenyl-ethyl-(2-methylprop-2-enylidene)azanium?
ethenyl-ethyl-(2-methylprop-2-enylidene)azanium has a molecular weight of 124.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-ethyl-(2-methylprop-2-enylidene)azanium is sourced from PubChem (CID 18346278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).