acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine

C8H19NO4 — CID 173051578

IUPACacetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine
SMILESCC(=O)O.COC(C)NC(C)OC
InChIInChI=1S/C6H15NO2.C2H4O2/c1-5(8-3)7-6(2)9-4;1-2(3)4/h5-7H,1-4H3;1H3,(H,3,4)
InChIKeyMOMGTZGLKHQKRZ-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.65
Rot. Bonds4

About acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine

acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine (PubChem CID 173051578) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine.

Molecular Properties

Compound Nameacetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine
PubChem CID173051578
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Nameacetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine
SMILESCC(=O)O.COC(C)NC(C)OC
InChIInChI=1S/C6H15NO2.C2H4O2/c1-5(8-3)7-6(2)9-4;1-2(3)4/h5-7H,1-4H3;1H3,(H,3,4)
InChIKeyMOMGTZGLKHQKRZ-UHFFFAOYSA-N
XLogP0.65
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine?
The IUPAC name of acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine (CID 173051578) is acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine.
What is the SMILES notation for acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine?
The canonical SMILES for acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine is CC(=O)O.COC(C)NC(C)OC.
What is the InChIKey of acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine?
The InChIKey is MOMGTZGLKHQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C2H4O2/c1-5(8-3)7-6(2)9-4;1-2(3)4/h5-7H,1-4H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine?
acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine has a molecular weight of 193.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-methoxy-N-(1-methoxyethyl)ethanamine is sourced from PubChem (CID 173051578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).