but-2-enylidene(dimethyl)azanium

C6H12N+ — CID 73181565

IUPACbut-2-enylidene(dimethyl)azanium
SMILESCC=CC=[N+](C)C
InChIInChI=1S/C6H12N/c1-4-5-6-7(2)3/h4-6H,1-3H3/q+1
InChIKeyMEFCFYSNJKHELM-UHFFFAOYSA-N
MW98.17 g/mol
LogP0.91
Rot. Bonds1

About but-2-enylidene(dimethyl)azanium

but-2-enylidene(dimethyl)azanium (PubChem CID 73181565) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is but-2-enylidene(dimethyl)azanium.

Molecular Properties

Compound Namebut-2-enylidene(dimethyl)azanium
PubChem CID73181565
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Namebut-2-enylidene(dimethyl)azanium
SMILESCC=CC=[N+](C)C
InChIInChI=1S/C6H12N/c1-4-5-6-7(2)3/h4-6H,1-3H3/q+1
InChIKeyMEFCFYSNJKHELM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of but-2-enylidene(dimethyl)azanium?
The IUPAC name of but-2-enylidene(dimethyl)azanium (CID 73181565) is but-2-enylidene(dimethyl)azanium.
What is the SMILES notation for but-2-enylidene(dimethyl)azanium?
The canonical SMILES for but-2-enylidene(dimethyl)azanium is CC=CC=[N+](C)C.
What is the InChIKey of but-2-enylidene(dimethyl)azanium?
The InChIKey is MEFCFYSNJKHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N/c1-4-5-6-7(2)3/h4-6H,1-3H3/q+1.
What are the key properties of but-2-enylidene(dimethyl)azanium?
but-2-enylidene(dimethyl)azanium 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 but-2-enylidene(dimethyl)azanium is sourced from PubChem (CID 73181565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).