trimethylazanium dichloride

C3H10Cl2N- — CID 12698370

IUPACtrimethylazanium dichloride
SMILESC[NH+](C)C.[Cl-].[Cl-]
InChIInChI=1S/C3H9N.2ClH/c1-4(2)3;;/h1-3H3;2*1H/p-1
InChIKeyMVTBQTUWKKCHOI-UHFFFAOYSA-M
MW131.03 g/mol
LogP-7.23
Rot. Bonds

About trimethylazanium dichloride

trimethylazanium dichloride (PubChem CID 12698370) has the molecular formula C3H10Cl2N- and a molecular weight of 131.03 g/mol. Its IUPAC name is trimethylazanium dichloride.

Molecular Properties

Compound Nametrimethylazanium dichloride
PubChem CID12698370
Molecular FormulaC3H10Cl2N-
Molecular Weight131.03 g/mol
Exact Mass130.02
IUPAC Nametrimethylazanium dichloride
SMILESC[NH+](C)C.[Cl-].[Cl-]
InChIInChI=1S/C3H9N.2ClH/c1-4(2)3;;/h1-3H3;2*1H/p-1
InChIKeyMVTBQTUWKKCHOI-UHFFFAOYSA-M
XLogP-7.23
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.03
LogP ≤ 5-7.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trimethylazanium dichloride?
The IUPAC name of trimethylazanium dichloride (CID 12698370) is trimethylazanium dichloride.
What is the SMILES notation for trimethylazanium dichloride?
The canonical SMILES for trimethylazanium dichloride is C[NH+](C)C.[Cl-].[Cl-].
What is the InChIKey of trimethylazanium dichloride?
The InChIKey is MVTBQTUWKKCHOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9N.2ClH/c1-4(2)3;;/h1-3H3;2*1H/p-1.
What are the key properties of trimethylazanium dichloride?
trimethylazanium dichloride has a molecular weight of 131.03 g/mol, XLogP of -7.23, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylazanium dichloride is sourced from PubChem (CID 12698370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).