N'-methoxy-N,N-dimethylethanimidamide

C5H12N2O — CID 20687842

IUPACN'-methoxy-N,N-dimethylethanimidamide
SMILESCO/N=C(/C)N(C)C
InChIInChI=1S/C5H12N2O/c1-5(6-8-4)7(2)3/h1-4H3/b6-5-
InChIKeyKOIFFFOPVNSMEQ-WAYWQWQTSA-N
MW116.16 g/mol
LogP0.53
Rot. Bonds1

About N'-methoxy-N,N-dimethylethanimidamide

N'-methoxy-N,N-dimethylethanimidamide (PubChem CID 20687842) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N'-methoxy-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-methoxy-N,N-dimethylethanimidamide
PubChem CID20687842
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN'-methoxy-N,N-dimethylethanimidamide
SMILESCO/N=C(/C)N(C)C
InChIInChI=1S/C5H12N2O/c1-5(6-8-4)7(2)3/h1-4H3/b6-5-
InChIKeyKOIFFFOPVNSMEQ-WAYWQWQTSA-N
XLogP0.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.53
H-Bond Donors ≤ 50
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,N-dimethylethanimidamide?
The IUPAC name of N'-methoxy-N,N-dimethylethanimidamide (CID 20687842) is N'-methoxy-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-methoxy-N,N-dimethylethanimidamide?
The canonical SMILES for N'-methoxy-N,N-dimethylethanimidamide is CO/N=C(/C)N(C)C.
What is the InChIKey of N'-methoxy-N,N-dimethylethanimidamide?
The InChIKey is KOIFFFOPVNSMEQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(6-8-4)7(2)3/h1-4H3/b6-5-.
What are the key properties of N'-methoxy-N,N-dimethylethanimidamide?
N'-methoxy-N,N-dimethylethanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-N,N-dimethylethanimidamide is sourced from PubChem (CID 20687842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).