carbamic acid;tetraethylazanium

C9H23N2O2+ — CID 159284464

IUPACcarbamic acid;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.NC(=O)O
InChIInChI=1S/C8H20N.CH3NO2/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;2H2,(H,3,4)/q+1;
InChIKeyKZIHJWBQQBFFKR-UHFFFAOYSA-N
MW191.29 g/mol
LogP1.51
Rot. Bonds4

About carbamic acid;tetraethylazanium

carbamic acid;tetraethylazanium (PubChem CID 159284464) has the molecular formula C9H23N2O2+ and a molecular weight of 191.29 g/mol. Its IUPAC name is carbamic acid;tetraethylazanium.

Molecular Properties

Compound Namecarbamic acid;tetraethylazanium
PubChem CID159284464
Molecular FormulaC9H23N2O2+
Molecular Weight191.29 g/mol
Exact Mass191.18
IUPAC Namecarbamic acid;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.NC(=O)O
InChIInChI=1S/C8H20N.CH3NO2/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;2H2,(H,3,4)/q+1;
InChIKeyKZIHJWBQQBFFKR-UHFFFAOYSA-N
XLogP1.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetraethylazanium;urea;hydroxide
CID 175541942
oxalic acid;tetraethylazanium
CID 24888116
2-aminopropanoic acid;tetraethylazanium
CID 175034793
prop-2-enamide;tetraethylazanium
CID 160757497
hydroxylamine;tetraethylazanium;hydrate
CID 174752646
carbamic acid;disulfanylethane
CID 146590637
methanol;tetraethylazanium;hydroxide
CID 159654840
phosphenous acid;tetraethylazanium
CID 14943914
dihydroxy(oxo)phosphanium;tetraethylazanium
CID 175533770
iron(2+);tetraethylazanium
CID 159930273
tetraethylazanium hydroxide
CID 6509
N'-tert-butyloxamide;tetraethylazanium
CID 88691963

Frequently Asked Questions

What is the IUPAC name of carbamic acid;tetraethylazanium?
The IUPAC name of carbamic acid;tetraethylazanium (CID 159284464) is carbamic acid;tetraethylazanium.
What is the SMILES notation for carbamic acid;tetraethylazanium?
The canonical SMILES for carbamic acid;tetraethylazanium is CC[N+](CC)(CC)CC.NC(=O)O.
What is the InChIKey of carbamic acid;tetraethylazanium?
The InChIKey is KZIHJWBQQBFFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.CH3NO2/c1-5-9(6-2,7-3)8-4;2-1(3)4/h5-8H2,1-4H3;2H2,(H,3,4)/q+1;.
What are the key properties of carbamic acid;tetraethylazanium?
carbamic acid;tetraethylazanium has a molecular weight of 191.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;tetraethylazanium is sourced from PubChem (CID 159284464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).