tetraethylazanium;urea;hydroxide

C9H25N3O2 — CID 175541942

IUPACtetraethylazanium;urea;hydroxide
SMILESCC[N+](CC)(CC)CC.NC(N)=O.[OH-]
InChIInChI=1S/C8H20N.CH4N2O.H2O/c1-5-9(6-2,7-3)8-4;2-1(3)4;/h5-8H2,1-4H3;(H4,2,3,4);1H2/q+1;;/p-1
InChIKeyXVMPMAUIVXUKKR-UHFFFAOYSA-M
MW207.32 g/mol
LogP0.73
Rot. Bonds4

About tetraethylazanium;urea;hydroxide

tetraethylazanium;urea;hydroxide (PubChem CID 175541942) has the molecular formula C9H25N3O2 and a molecular weight of 207.32 g/mol. Its IUPAC name is tetraethylazanium;urea;hydroxide.

Molecular Properties

Compound Nametetraethylazanium;urea;hydroxide
PubChem CID175541942
Molecular FormulaC9H25N3O2
Molecular Weight207.32 g/mol
Exact Mass207.19
IUPAC Nametetraethylazanium;urea;hydroxide
SMILESCC[N+](CC)(CC)CC.NC(N)=O.[OH-]
InChIInChI=1S/C8H20N.CH4N2O.H2O/c1-5-9(6-2,7-3)8-4;2-1(3)4;/h5-8H2,1-4H3;(H4,2,3,4);1H2/q+1;;/p-1
InChIKeyXVMPMAUIVXUKKR-UHFFFAOYSA-M
XLogP0.73
TPSA99.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

carbamic acid;tetraethylazanium
CID 159284464
methanol;tetraethylazanium;hydroxide
CID 159654840
tetraethylazanium hydroxide
CID 6509
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CID 160757497
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CID 24888116
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
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CID 175034793
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CID 14943914
dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
iron(2+);tetraethylazanium
CID 159930273
N'-tert-butyloxamide;tetraethylazanium
CID 88691963
CID 87675783
CID 87675783

Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;urea;hydroxide?
The IUPAC name of tetraethylazanium;urea;hydroxide (CID 175541942) is tetraethylazanium;urea;hydroxide.
What is the SMILES notation for tetraethylazanium;urea;hydroxide?
The canonical SMILES for tetraethylazanium;urea;hydroxide is CC[N+](CC)(CC)CC.NC(N)=O.[OH-].
What is the InChIKey of tetraethylazanium;urea;hydroxide?
The InChIKey is XVMPMAUIVXUKKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.CH4N2O.H2O/c1-5-9(6-2,7-3)8-4;2-1(3)4;/h5-8H2,1-4H3;(H4,2,3,4);1H2/q+1;;/p-1.
What are the key properties of tetraethylazanium;urea;hydroxide?
tetraethylazanium;urea;hydroxide has a molecular weight of 207.32 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;urea;hydroxide is sourced from PubChem (CID 175541942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).