N'-methoxy-N-methylidenemethanimidamide

C3H6N2O — CID 143329370

IUPACN'-methoxy-N-methylidenemethanimidamide
SMILESC=N/C=N\OC
InChIInChI=1S/C3H6N2O/c1-4-3-5-6-2/h3H,1H2,2H3/b5-3-
InChIKeyYSENTLRKIOUGJJ-HYXAFXHYSA-N
MW86.09 g/mol
LogP0.28
Rot. Bonds2

About N'-methoxy-N-methylidenemethanimidamide

N'-methoxy-N-methylidenemethanimidamide (PubChem CID 143329370) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is N'-methoxy-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-methoxy-N-methylidenemethanimidamide
PubChem CID143329370
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC NameN'-methoxy-N-methylidenemethanimidamide
SMILESC=N/C=N\OC
InChIInChI=1S/C3H6N2O/c1-4-3-5-6-2/h3H,1H2,2H3/b5-3-
InChIKeyYSENTLRKIOUGJJ-HYXAFXHYSA-N
XLogP0.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.28
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-methylidenemethanimidamide?
The IUPAC name of N'-methoxy-N-methylidenemethanimidamide (CID 143329370) is N'-methoxy-N-methylidenemethanimidamide.
What is the SMILES notation for N'-methoxy-N-methylidenemethanimidamide?
The canonical SMILES for N'-methoxy-N-methylidenemethanimidamide is C=N/C=N\OC.
What is the InChIKey of N'-methoxy-N-methylidenemethanimidamide?
The InChIKey is YSENTLRKIOUGJJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C3H6N2O/c1-4-3-5-6-2/h3H,1H2,2H3/b5-3-.
What are the key properties of N'-methoxy-N-methylidenemethanimidamide?
N'-methoxy-N-methylidenemethanimidamide has a molecular weight of 86.09 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-N-methylidenemethanimidamide is sourced from PubChem (CID 143329370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).