[(E)-but-2-enylidene]-dimethylazanium

C6H12N+ — CID 13354352

IUPAC[(E)-but-2-enylidene]-dimethylazanium
SMILESC/C=C/C=[N+](C)C
InChIInChI=1S/C6H12N/c1-4-5-6-7(2)3/h4-6H,1-3H3/q+1/b5-4+
InChIKeyMEFCFYSNJKHELM-SNAWJCMRSA-N
MW98.17 g/mol
LogP0.91
Rot. Bonds1

About [(E)-but-2-enylidene]-dimethylazanium

[(E)-but-2-enylidene]-dimethylazanium (PubChem CID 13354352) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is [(E)-but-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-but-2-enylidene]-dimethylazanium
PubChem CID13354352
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Name[(E)-but-2-enylidene]-dimethylazanium
SMILESC/C=C/C=[N+](C)C
InChIInChI=1S/C6H12N/c1-4-5-6-7(2)3/h4-6H,1-3H3/q+1/b5-4+
InChIKeyMEFCFYSNJKHELM-SNAWJCMRSA-N
XLogP0.91
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 50.91
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

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
(1E)-N-Methylprop-2-en-1-imine
CID 15361483
2-Aza-2,4,6-heptatriene
CID 59945193
(E)-5-Azahepta-2,4-diene
CID 5463161
(Z)-N-(fluoromethyl)but-2-en-1-imine
CID 154033399
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380
(E)-N-propylbut-2-en-1-imine
CID 10866289
1-Prop-2-enylideneaziridin-1-ium
CID 134940569
[(2Z)-2-(diselenol-3-ylidene)ethylidene]-dimethylazanium
CID 135051495
1,3-Dimethyl-1-azonia-3-boranuidacyclohexa-2,4,6-triene
CID 164667678
N-[(E)-3-fluorobut-2-enyl]prop-2-en-1-imine
CID 170977585

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-but-2-enylidene]-dimethylazanium (CID 13354352) is [(E)-but-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-but-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-but-2-enylidene]-dimethylazanium is C/C=C/C=[N+](C)C.
What is the InChIKey of [(E)-but-2-enylidene]-dimethylazanium?
The InChIKey is MEFCFYSNJKHELM-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12N/c1-4-5-6-7(2)3/h4-6H,1-3H3/q+1/b5-4+.
What are the key properties of [(E)-but-2-enylidene]-dimethylazanium?
[(E)-but-2-enylidene]-dimethylazanium has a molecular weight of 98.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enylidene]-dimethylazanium is sourced from PubChem (CID 13354352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).