2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide

C8H18N2O2 — CID 79197618

IUPAC2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide
SMILESCOCC/N=C(\N)C(C)(C)OC
InChIInChI=1S/C8H18N2O2/c1-8(2,12-4)7(9)10-5-6-11-3/h5-6H2,1-4H3,(H2,9,10)
InChIKeyRYLYLYJUZNVLAA-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.41
Rot. Bonds5

About 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide

2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide (PubChem CID 79197618) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide.

Molecular Properties

Compound Name2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide
PubChem CID79197618
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide
SMILESCOCC/N=C(\N)C(C)(C)OC
InChIInChI=1S/C8H18N2O2/c1-8(2,12-4)7(9)10-5-6-11-3/h5-6H2,1-4H3,(H2,9,10)
InChIKeyRYLYLYJUZNVLAA-UHFFFAOYSA-N
XLogP0.41
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide?
The IUPAC name of 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide (CID 79197618) is 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide.
What is the SMILES notation for 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide?
The canonical SMILES for 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide is COCC/N=C(\N)C(C)(C)OC.
What is the InChIKey of 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide?
The InChIKey is RYLYLYJUZNVLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,12-4)7(9)10-5-6-11-3/h5-6H2,1-4H3,(H2,9,10).
What are the key properties of 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide?
2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide has a molecular weight of 174.24 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(2-methoxyethyl)-2-methylpropanimidamide is sourced from PubChem (CID 79197618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).