triethylazanium acetate

C8H19NO2 — CID 11073729

IUPACtriethylazanium acetate
SMILESCC(=O)[O-].CC[NH+](CC)CC
InChIInChI=1S/C6H15N.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)
InChIKeyAVBGNFCMKJOFIN-UHFFFAOYSA-N
MW161.25 g/mol
LogP-1.31
Rot. Bonds3

About triethylazanium acetate

triethylazanium acetate (PubChem CID 11073729) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is triethylazanium acetate.

Molecular Properties

Compound Nametriethylazanium acetate
PubChem CID11073729
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nametriethylazanium acetate
SMILESCC(=O)[O-].CC[NH+](CC)CC
InChIInChI=1S/C6H15N.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)
InChIKeyAVBGNFCMKJOFIN-UHFFFAOYSA-N
XLogP-1.31
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of triethylazanium acetate?
The IUPAC name of triethylazanium acetate (CID 11073729) is triethylazanium acetate.
What is the SMILES notation for triethylazanium acetate?
The canonical SMILES for triethylazanium acetate is CC(=O)[O-].CC[NH+](CC)CC.
What is the InChIKey of triethylazanium acetate?
The InChIKey is AVBGNFCMKJOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4).
What are the key properties of triethylazanium acetate?
triethylazanium acetate has a molecular weight of 161.25 g/mol, XLogP of -1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium acetate is sourced from PubChem (CID 11073729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).