ethane;N'-methoxy-N-methylidenemethanimidamide

C5H12N2O — CID 143329369

IUPACethane;N'-methoxy-N-methylidenemethanimidamide
SMILESC=N/C=N\OC.CC
InChIInChI=1S/C3H6N2O.C2H6/c1-4-3-5-6-2;1-2/h3H,1H2,2H3;1-2H3/b5-3-;
InChIKeyRBKBVHRJZXEIHE-FBZPGIPVSA-N
MW116.16 g/mol
LogP1.30
Rot. Bonds2

About ethane;N'-methoxy-N-methylidenemethanimidamide

ethane;N'-methoxy-N-methylidenemethanimidamide (PubChem CID 143329369) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is ethane;N'-methoxy-N-methylidenemethanimidamide.

Molecular Properties

Compound Nameethane;N'-methoxy-N-methylidenemethanimidamide
PubChem CID143329369
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Nameethane;N'-methoxy-N-methylidenemethanimidamide
SMILESC=N/C=N\OC.CC
InChIInChI=1S/C3H6N2O.C2H6/c1-4-3-5-6-2;1-2/h3H,1H2,2H3;1-2H3/b5-3-;
InChIKeyRBKBVHRJZXEIHE-FBZPGIPVSA-N
XLogP1.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.30
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 ethane;N'-methoxy-N-methylidenemethanimidamide?
The IUPAC name of ethane;N'-methoxy-N-methylidenemethanimidamide (CID 143329369) is ethane;N'-methoxy-N-methylidenemethanimidamide.
What is the SMILES notation for ethane;N'-methoxy-N-methylidenemethanimidamide?
The canonical SMILES for ethane;N'-methoxy-N-methylidenemethanimidamide is C=N/C=N\OC.CC.
What is the InChIKey of ethane;N'-methoxy-N-methylidenemethanimidamide?
The InChIKey is RBKBVHRJZXEIHE-FBZPGIPVSA-N. The full InChI is InChI=1S/C3H6N2O.C2H6/c1-4-3-5-6-2;1-2/h3H,1H2,2H3;1-2H3/b5-3-;.
What are the key properties of ethane;N'-methoxy-N-methylidenemethanimidamide?
ethane;N'-methoxy-N-methylidenemethanimidamide has a molecular weight of 116.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methoxy-N-methylidenemethanimidamide is sourced from PubChem (CID 143329369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).