N-ethyl-3-methoxy-N'-methylpropanimidamide

C7H16N2O — CID 123704497

IUPACN-ethyl-3-methoxy-N'-methylpropanimidamide
SMILESCCN/C(CCOC)=N/C
InChIInChI=1S/C7H16N2O/c1-4-9-7(8-2)5-6-10-3/h4-6H2,1-3H3,(H,8,9)
InChIKeyBZWYOCMLMBOIGG-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.66
Rot. Bonds4

About N-ethyl-3-methoxy-N'-methylpropanimidamide

N-ethyl-3-methoxy-N'-methylpropanimidamide (PubChem CID 123704497) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N'-methylpropanimidamide
PubChem CID123704497
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-ethyl-3-methoxy-N'-methylpropanimidamide
SMILESCCN/C(CCOC)=N/C
InChIInChI=1S/C7H16N2O/c1-4-9-7(8-2)5-6-10-3/h4-6H2,1-3H3,(H,8,9)
InChIKeyBZWYOCMLMBOIGG-UHFFFAOYSA-N
XLogP0.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-ethyl-3-methoxy-N'-methylpropanimidamide?
The IUPAC name of N-ethyl-3-methoxy-N'-methylpropanimidamide (CID 123704497) is N-ethyl-3-methoxy-N'-methylpropanimidamide.
What is the SMILES notation for N-ethyl-3-methoxy-N'-methylpropanimidamide?
The canonical SMILES for N-ethyl-3-methoxy-N'-methylpropanimidamide is CCN/C(CCOC)=N/C.
What is the InChIKey of N-ethyl-3-methoxy-N'-methylpropanimidamide?
The InChIKey is BZWYOCMLMBOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-9-7(8-2)5-6-10-3/h4-6H2,1-3H3,(H,8,9).
What are the key properties of N-ethyl-3-methoxy-N'-methylpropanimidamide?
N-ethyl-3-methoxy-N'-methylpropanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N'-methylpropanimidamide is sourced from PubChem (CID 123704497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).