ethane;N'-methylmethanimidamide

C4H12N2 — CID 143416555

IUPACethane;N'-methylmethanimidamide
SMILESC/N=C/N.CC
InChIInChI=1S/C2H6N2.C2H6/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);1-2H3
InChIKeyYARWXQXTYSYDQC-UHFFFAOYSA-N
MW88.15 g/mol
LogP0.63
Rot. Bonds

About ethane;N'-methylmethanimidamide

ethane;N'-methylmethanimidamide (PubChem CID 143416555) has the molecular formula C4H12N2 and a molecular weight of 88.15 g/mol. Its IUPAC name is ethane;N'-methylmethanimidamide.

Molecular Properties

Compound Nameethane;N'-methylmethanimidamide
PubChem CID143416555
Molecular FormulaC4H12N2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC Nameethane;N'-methylmethanimidamide
SMILESC/N=C/N.CC
InChIInChI=1S/C2H6N2.C2H6/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);1-2H3
InChIKeyYARWXQXTYSYDQC-UHFFFAOYSA-N
XLogP0.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethane;N'-methylmethanimidamide?
The IUPAC name of ethane;N'-methylmethanimidamide (CID 143416555) is ethane;N'-methylmethanimidamide.
What is the SMILES notation for ethane;N'-methylmethanimidamide?
The canonical SMILES for ethane;N'-methylmethanimidamide is C/N=C/N.CC.
What is the InChIKey of ethane;N'-methylmethanimidamide?
The InChIKey is YARWXQXTYSYDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2.C2H6/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);1-2H3.
What are the key properties of ethane;N'-methylmethanimidamide?
ethane;N'-methylmethanimidamide has a molecular weight of 88.15 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methylmethanimidamide is sourced from PubChem (CID 143416555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).