N-methoxy-N'-methylpropanimidamide

C5H12N2O — CID 89118421

IUPACN-methoxy-N'-methylpropanimidamide
SMILESCC/C(=N\C)NOC
InChIInChI=1S/C5H12N2O/c1-4-5(6-2)7-8-3/h4H2,1-3H3,(H,6,7)
InChIKeyVWHRBLVFWSATCC-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.58
Rot. Bonds2

About N-methoxy-N'-methylpropanimidamide

N-methoxy-N'-methylpropanimidamide (PubChem CID 89118421) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-methoxy-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-methoxy-N'-methylpropanimidamide
PubChem CID89118421
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-methoxy-N'-methylpropanimidamide
SMILESCC/C(=N\C)NOC
InChIInChI=1S/C5H12N2O/c1-4-5(6-2)7-8-3/h4H2,1-3H3,(H,6,7)
InChIKeyVWHRBLVFWSATCC-UHFFFAOYSA-N
XLogP0.58
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.58
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N'-methylpropanimidamide?
The IUPAC name of N-methoxy-N'-methylpropanimidamide (CID 89118421) is N-methoxy-N'-methylpropanimidamide.
What is the SMILES notation for N-methoxy-N'-methylpropanimidamide?
The canonical SMILES for N-methoxy-N'-methylpropanimidamide is CC/C(=N\C)NOC.
What is the InChIKey of N-methoxy-N'-methylpropanimidamide?
The InChIKey is VWHRBLVFWSATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4-5(6-2)7-8-3/h4H2,1-3H3,(H,6,7).
What are the key properties of N-methoxy-N'-methylpropanimidamide?
N-methoxy-N'-methylpropanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N'-methylpropanimidamide is sourced from PubChem (CID 89118421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).