trimethyl-[2-(trimethylazaniumyl)ethyl]azanium

C8H22N2+2 — CID 25258

IUPACtrimethyl-[2-(trimethylazaniumyl)ethyl]azanium
SMILESC[N+](C)(C)CC[N+](C)(C)C
InChIInChI=1S/C8H22N2/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/q+2
InChIKeyYIXVXFVKVAPMDM-UHFFFAOYSA-N
MW146.28 g/mol
LogP0.40
Rot. Bonds3

About trimethyl-[2-(trimethylazaniumyl)ethyl]azanium

trimethyl-[2-(trimethylazaniumyl)ethyl]azanium (PubChem CID 25258) has the molecular formula C8H22N2+2 and a molecular weight of 146.28 g/mol. Its IUPAC name is trimethyl-[2-(trimethylazaniumyl)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(trimethylazaniumyl)ethyl]azanium
PubChem CID25258
Molecular FormulaC8H22N2+2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC Nametrimethyl-[2-(trimethylazaniumyl)ethyl]azanium
SMILESC[N+](C)(C)CC[N+](C)(C)C
InChIInChI=1S/C8H22N2/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/q+2
InChIKeyYIXVXFVKVAPMDM-UHFFFAOYSA-N
XLogP0.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 50.40
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-[2-(trimethylazaniumyl)ethyl]azanium?
The IUPAC name of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium (CID 25258) is trimethyl-[2-(trimethylazaniumyl)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium is C[N+](C)(C)CC[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium?
The InChIKey is YIXVXFVKVAPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/q+2.
What are the key properties of trimethyl-[2-(trimethylazaniumyl)ethyl]azanium?
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium has a molecular weight of 146.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(trimethylazaniumyl)ethyl]azanium is sourced from PubChem (CID 25258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).