bis(trimethylazanium);dichloride;hydrochloride

C6H21Cl3N2 — CID 139207655

IUPACbis(trimethylazanium);dichloride;hydrochloride
SMILESC[NH+](C)C.C[NH+](C)C.Cl.[Cl-].[Cl-]
InChIInChI=1S/2C3H9N.3ClH/c2*1-4(2)3;;;/h2*1-3H3;3*1H
InChIKeyCLMWRRWWCNNGCB-UHFFFAOYSA-N
MW227.61 g/mol
LogP-8.05
Rot. Bonds

About bis(trimethylazanium);dichloride;hydrochloride

bis(trimethylazanium);dichloride;hydrochloride (PubChem CID 139207655) has the molecular formula C6H21Cl3N2 and a molecular weight of 227.61 g/mol. Its IUPAC name is bis(trimethylazanium);dichloride;hydrochloride.

Molecular Properties

Compound Namebis(trimethylazanium);dichloride;hydrochloride
PubChem CID139207655
Molecular FormulaC6H21Cl3N2
Molecular Weight227.61 g/mol
Exact Mass226.08
IUPAC Namebis(trimethylazanium);dichloride;hydrochloride
SMILESC[NH+](C)C.C[NH+](C)C.Cl.[Cl-].[Cl-]
InChIInChI=1S/2C3H9N.3ClH/c2*1-4(2)3;;;/h2*1-3H3;3*1H
InChIKeyCLMWRRWWCNNGCB-UHFFFAOYSA-N
XLogP-8.05
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 5-8.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylazanium);dichloride;hydrochloride?
The IUPAC name of bis(trimethylazanium);dichloride;hydrochloride (CID 139207655) is bis(trimethylazanium);dichloride;hydrochloride.
What is the SMILES notation for bis(trimethylazanium);dichloride;hydrochloride?
The canonical SMILES for bis(trimethylazanium);dichloride;hydrochloride is C[NH+](C)C.C[NH+](C)C.Cl.[Cl-].[Cl-].
What is the InChIKey of bis(trimethylazanium);dichloride;hydrochloride?
The InChIKey is CLMWRRWWCNNGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H9N.3ClH/c2*1-4(2)3;;;/h2*1-3H3;3*1H.
What are the key properties of bis(trimethylazanium);dichloride;hydrochloride?
bis(trimethylazanium);dichloride;hydrochloride has a molecular weight of 227.61 g/mol, XLogP of -8.05, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylazanium);dichloride;hydrochloride is sourced from PubChem (CID 139207655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).