dimethyl(3-methylbut-3-enylidene)azanium

C7H14N+ — CID 123474951

IUPACdimethyl(3-methylbut-3-enylidene)azanium
SMILESC=C(C)CC=[N+](C)C
InChIInChI=1S/C7H14N/c1-7(2)5-6-8(3)4/h6H,1,5H2,2-4H3/q+1
InChIKeyWTCVBYOFYCOMJQ-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.30
Rot. Bonds2

About dimethyl(3-methylbut-3-enylidene)azanium

dimethyl(3-methylbut-3-enylidene)azanium (PubChem CID 123474951) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is dimethyl(3-methylbut-3-enylidene)azanium.

Molecular Properties

Compound Namedimethyl(3-methylbut-3-enylidene)azanium
PubChem CID123474951
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Namedimethyl(3-methylbut-3-enylidene)azanium
SMILESC=C(C)CC=[N+](C)C
InChIInChI=1S/C7H14N/c1-7(2)5-6-8(3)4/h6H,1,5H2,2-4H3/q+1
InChIKeyWTCVBYOFYCOMJQ-UHFFFAOYSA-N
XLogP1.30
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(3-methylbut-3-enylidene)azanium?
The IUPAC name of dimethyl(3-methylbut-3-enylidene)azanium (CID 123474951) is dimethyl(3-methylbut-3-enylidene)azanium.
What is the SMILES notation for dimethyl(3-methylbut-3-enylidene)azanium?
The canonical SMILES for dimethyl(3-methylbut-3-enylidene)azanium is C=C(C)CC=[N+](C)C.
What is the InChIKey of dimethyl(3-methylbut-3-enylidene)azanium?
The InChIKey is WTCVBYOFYCOMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-7(2)5-6-8(3)4/h6H,1,5H2,2-4H3/q+1.
What are the key properties of dimethyl(3-methylbut-3-enylidene)azanium?
dimethyl(3-methylbut-3-enylidene)azanium has a molecular weight of 112.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3-methylbut-3-enylidene)azanium is sourced from PubChem (CID 123474951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).