trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium

C8H20N2+2 — CID 87395220

IUPACtrimethyl-[1-(trimethylazaniumyl)ethenyl]azanium
SMILESC=C([N+](C)(C)C)[N+](C)(C)C
InChIInChI=1S/C8H20N2/c1-8(9(2,3)4)10(5,6)7/h1H2,2-7H3/q+2
InChIKeyMZLCMNULXQDHFL-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.87
Rot. Bonds2

About trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium

trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium (PubChem CID 87395220) has the molecular formula C8H20N2+2 and a molecular weight of 144.26 g/mol. Its IUPAC name is trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium.

Molecular Properties

Compound Nametrimethyl-[1-(trimethylazaniumyl)ethenyl]azanium
PubChem CID87395220
Molecular FormulaC8H20N2+2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Nametrimethyl-[1-(trimethylazaniumyl)ethenyl]azanium
SMILESC=C([N+](C)(C)C)[N+](C)(C)C
InChIInChI=1S/C8H20N2/c1-8(9(2,3)4)10(5,6)7/h1H2,2-7H3/q+2
InChIKeyMZLCMNULXQDHFL-UHFFFAOYSA-N
XLogP0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium?
The IUPAC name of trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium (CID 87395220) is trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium.
What is the SMILES notation for trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium?
The canonical SMILES for trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium is C=C([N+](C)(C)C)[N+](C)(C)C.
What is the InChIKey of trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium?
The InChIKey is MZLCMNULXQDHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-8(9(2,3)4)10(5,6)7/h1H2,2-7H3/q+2.
What are the key properties of trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium?
trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium has a molecular weight of 144.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(trimethylazaniumyl)ethenyl]azanium is sourced from PubChem (CID 87395220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).