but-2-en-2-yl-ethyl-ethylideneazanium

C8H16N+ — CID 123147050

IUPACbut-2-en-2-yl-ethyl-ethylideneazanium
SMILESCC=C(C)/[N+](=C/C)CC
InChIInChI=1S/C8H16N/c1-5-8(4)9(6-2)7-3/h5-6H,7H2,1-4H3/q+1/b8-5?,9-6+
InChIKeyWYVMODQAIWVASH-QTQRZSEBSA-N
MW126.22 g/mol
LogP2.03
Rot. Bonds2

About but-2-en-2-yl-ethyl-ethylideneazanium

but-2-en-2-yl-ethyl-ethylideneazanium (PubChem CID 123147050) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is but-2-en-2-yl-ethyl-ethylideneazanium.

Molecular Properties

Compound Namebut-2-en-2-yl-ethyl-ethylideneazanium
PubChem CID123147050
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namebut-2-en-2-yl-ethyl-ethylideneazanium
SMILESCC=C(C)/[N+](=C/C)CC
InChIInChI=1S/C8H16N/c1-5-8(4)9(6-2)7-3/h5-6H,7H2,1-4H3/q+1/b8-5?,9-6+
InChIKeyWYVMODQAIWVASH-QTQRZSEBSA-N
XLogP2.03
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.03
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

N-[(E)-but-2-en-2-yl]ethanimine
CID 18719779
N-but-2-en-2-ylethanimine
CID 20749343
[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
Ethylidene-methyl-prop-1-en-2-ylazanium
CID 22082298
N-[(Z)-but-2-en-2-yl]buta-2,3-dien-1-imine
CID 89384307
N,N-dimethyl-4-methyliminobut-2-en-2-amine
CID 90723290
ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
CID 90919791
Ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane
CID 91559484
3-[Ethenyl(methyl)amino]but-2-enylidene-dimethylazanium
CID 123347833
Methyl-pentylidene-prop-1-en-2-ylazanium
CID 123560999
N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine
CID 123608772
N-[(Z)-but-2-en-2-yl]ethanimine
CID 124002482

Frequently Asked Questions

What is the IUPAC name of but-2-en-2-yl-ethyl-ethylideneazanium?
The IUPAC name of but-2-en-2-yl-ethyl-ethylideneazanium (CID 123147050) is but-2-en-2-yl-ethyl-ethylideneazanium.
What is the SMILES notation for but-2-en-2-yl-ethyl-ethylideneazanium?
The canonical SMILES for but-2-en-2-yl-ethyl-ethylideneazanium is CC=C(C)/[N+](=C/C)CC.
What is the InChIKey of but-2-en-2-yl-ethyl-ethylideneazanium?
The InChIKey is WYVMODQAIWVASH-QTQRZSEBSA-N. The full InChI is InChI=1S/C8H16N/c1-5-8(4)9(6-2)7-3/h5-6H,7H2,1-4H3/q+1/b8-5?,9-6+.
What are the key properties of but-2-en-2-yl-ethyl-ethylideneazanium?
but-2-en-2-yl-ethyl-ethylideneazanium has a molecular weight of 126.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-yl-ethyl-ethylideneazanium is sourced from PubChem (CID 123147050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).