tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide

C16H42N2O2 — CID 159779261

IUPACtetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
SMILESCC(C)[N+](C(C)C)(C(C)C)C(C)C.C[N+](C)(C)C.[OH-].[OH-]
InChIInChI=1S/C12H28N.C4H12N.2H2O/c1-9(2)13(10(3)4,11(5)6)12(7)8;1-5(2,3)4;;/h9-12H,1-8H3;1-4H3;2*1H2/q2*+1;;/p-2
InChIKeyBHZCTBAXZABCCW-UHFFFAOYSA-L
MW294.52 g/mol
LogP3.41
Rot. Bonds4

About tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide

tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide (PubChem CID 159779261) has the molecular formula C16H42N2O2 and a molecular weight of 294.52 g/mol. Its IUPAC name is tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide.

Molecular Properties

Compound Nametetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
PubChem CID159779261
Molecular FormulaC16H42N2O2
Molecular Weight294.52 g/mol
Exact Mass294.32
IUPAC Nametetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
SMILESCC(C)[N+](C(C)C)(C(C)C)C(C)C.C[N+](C)(C)C.[OH-].[OH-]
InChIInChI=1S/C12H28N.C4H12N.2H2O/c1-9(2)13(10(3)4,11(5)6)12(7)8;1-5(2,3)4;;/h9-12H,1-8H3;1-4H3;2*1H2/q2*+1;;/p-2
InChIKeyBHZCTBAXZABCCW-UHFFFAOYSA-L
XLogP3.41
TPSA60.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.52
LogP ≤ 53.41
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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Related Compounds

tetra(propan-2-yl)azanium fluoride
CID 18764598
carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride
CID 23633948
carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide
CID 23633949
tetra((113C)methyl)azanium
CID 171381348
2-methylpropan-1-olate;bis(tetramethylazanium);hydroxide
CID 170782885
sodium;sulfanide;tetramethylazanium;hydroxide
CID 173362953
hydroxy-methyl-di(propan-2-yl)azanium
CID 138728861
amino-methyl-(methylamino)-propan-2-ylazanium
CID 163498643
tetramethylazanium;titanium(4+)
CID 159533487
lead(2+);tetramethylazanium
CID 88599157
calcium tetramethylazanium
CID 21487404
λ2-plumbane;tetramethylazanium
CID 173386862

Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide?
The IUPAC name of tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide (CID 159779261) is tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide.
What is the SMILES notation for tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide?
The canonical SMILES for tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide is CC(C)[N+](C(C)C)(C(C)C)C(C)C.C[N+](C)(C)C.[OH-].[OH-].
What is the InChIKey of tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide?
The InChIKey is BHZCTBAXZABCCW-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H28N.C4H12N.2H2O/c1-9(2)13(10(3)4,11(5)6)12(7)8;1-5(2,3)4;;/h9-12H,1-8H3;1-4H3;2*1H2/q2*+1;;/p-2.
What are the key properties of tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide?
tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide has a molecular weight of 294.52 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide is sourced from PubChem (CID 159779261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).