bis(tetramethylazanium);dihydroxide;hydrate

C8H28N2O3 — CID 139673805

IUPACbis(tetramethylazanium);dihydroxide;hydrate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.O.[OH-].[OH-]
InChIInChI=1S/2C4H12N.3H2O/c2*1-5(2,3)4;;;/h2*1-4H3;3*1H2/q2*+1;;;/p-2
InChIKeyCHTFKSKPVQVMSH-UHFFFAOYSA-L
MW200.32 g/mol
LogP-0.53
Rot. Bonds

About bis(tetramethylazanium);dihydroxide;hydrate

bis(tetramethylazanium);dihydroxide;hydrate (PubChem CID 139673805) has the molecular formula C8H28N2O3 and a molecular weight of 200.32 g/mol. Its IUPAC name is bis(tetramethylazanium);dihydroxide;hydrate.

Molecular Properties

Compound Namebis(tetramethylazanium);dihydroxide;hydrate
PubChem CID139673805
Molecular FormulaC8H28N2O3
Molecular Weight200.32 g/mol
Exact Mass200.21
IUPAC Namebis(tetramethylazanium);dihydroxide;hydrate
SMILESC[N+](C)(C)C.C[N+](C)(C)C.O.[OH-].[OH-]
InChIInChI=1S/2C4H12N.3H2O/c2*1-5(2,3)4;;;/h2*1-4H3;3*1H2/q2*+1;;;/p-2
InChIKeyCHTFKSKPVQVMSH-UHFFFAOYSA-L
XLogP-0.53
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(tetramethylazanium);dihydroxide;hydrate?
The IUPAC name of bis(tetramethylazanium);dihydroxide;hydrate (CID 139673805) is bis(tetramethylazanium);dihydroxide;hydrate.
What is the SMILES notation for bis(tetramethylazanium);dihydroxide;hydrate?
The canonical SMILES for bis(tetramethylazanium);dihydroxide;hydrate is C[N+](C)(C)C.C[N+](C)(C)C.O.[OH-].[OH-].
What is the InChIKey of bis(tetramethylazanium);dihydroxide;hydrate?
The InChIKey is CHTFKSKPVQVMSH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12N.3H2O/c2*1-5(2,3)4;;;/h2*1-4H3;3*1H2/q2*+1;;;/p-2.
What are the key properties of bis(tetramethylazanium);dihydroxide;hydrate?
bis(tetramethylazanium);dihydroxide;hydrate has a molecular weight of 200.32 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tetramethylazanium);dihydroxide;hydrate is sourced from PubChem (CID 139673805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).