bis(2-methylprop-1-ene);tetramethylazanium

C12H28N+ — CID 162297581

IUPACbis(2-methylprop-1-ene);tetramethylazanium
SMILESC=C(C)C.C=C(C)C.C[N+](C)(C)C
InChIInChI=1S/C4H12N.2C4H8/c1-5(2,3)4;2*1-4(2)3/h1-4H3;2*1H2,2-3H3/q+1;;
InChIKeyLSJYUIZWHRYEOZ-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.49
Rot. Bonds

About bis(2-methylprop-1-ene);tetramethylazanium

bis(2-methylprop-1-ene);tetramethylazanium (PubChem CID 162297581) has the molecular formula C12H28N+ and a molecular weight of 186.36 g/mol. Its IUPAC name is bis(2-methylprop-1-ene);tetramethylazanium.

Molecular Properties

Compound Namebis(2-methylprop-1-ene);tetramethylazanium
PubChem CID162297581
Molecular FormulaC12H28N+
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Namebis(2-methylprop-1-ene);tetramethylazanium
SMILESC=C(C)C.C=C(C)C.C[N+](C)(C)C
InChIInChI=1S/C4H12N.2C4H8/c1-5(2,3)4;2*1-4(2)3/h1-4H3;2*1H2,2-3H3/q+1;;
InChIKeyLSJYUIZWHRYEOZ-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-1-ene);tetramethylazanium?
The IUPAC name of bis(2-methylprop-1-ene);tetramethylazanium (CID 162297581) is bis(2-methylprop-1-ene);tetramethylazanium.
What is the SMILES notation for bis(2-methylprop-1-ene);tetramethylazanium?
The canonical SMILES for bis(2-methylprop-1-ene);tetramethylazanium is C=C(C)C.C=C(C)C.C[N+](C)(C)C.
What is the InChIKey of bis(2-methylprop-1-ene);tetramethylazanium?
The InChIKey is LSJYUIZWHRYEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.2C4H8/c1-5(2,3)4;2*1-4(2)3/h1-4H3;2*1H2,2-3H3/q+1;;.
What are the key properties of bis(2-methylprop-1-ene);tetramethylazanium?
bis(2-methylprop-1-ene);tetramethylazanium has a molecular weight of 186.36 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-1-ene);tetramethylazanium is sourced from PubChem (CID 162297581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).