ethane;N'-ethenyl-N-methylidenemethanimidamide

C6H12N2 — CID 143822085

IUPACethane;N'-ethenyl-N-methylidenemethanimidamide
SMILESC=C/N=C/N=C.CC
InChIInChI=1S/C4H6N2.C2H6/c1-3-6-4-5-2;1-2/h3-4H,1-2H2;1-2H3/b6-4+;
InChIKeyBYPNFAJTWYWJCA-CVDVRWGVSA-N
MW112.18 g/mol
LogP1.88
Rot. Bonds2

About ethane;N'-ethenyl-N-methylidenemethanimidamide

ethane;N'-ethenyl-N-methylidenemethanimidamide (PubChem CID 143822085) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is ethane;N'-ethenyl-N-methylidenemethanimidamide.

Molecular Properties

Compound Nameethane;N'-ethenyl-N-methylidenemethanimidamide
PubChem CID143822085
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Nameethane;N'-ethenyl-N-methylidenemethanimidamide
SMILESC=C/N=C/N=C.CC
InChIInChI=1S/C4H6N2.C2H6/c1-3-6-4-5-2;1-2/h3-4H,1-2H2;1-2H3/b6-4+;
InChIKeyBYPNFAJTWYWJCA-CVDVRWGVSA-N
XLogP1.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
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'-ethenyl-N-methylidenemethanimidamide?
The IUPAC name of ethane;N'-ethenyl-N-methylidenemethanimidamide (CID 143822085) is ethane;N'-ethenyl-N-methylidenemethanimidamide.
What is the SMILES notation for ethane;N'-ethenyl-N-methylidenemethanimidamide?
The canonical SMILES for ethane;N'-ethenyl-N-methylidenemethanimidamide is C=C/N=C/N=C.CC.
What is the InChIKey of ethane;N'-ethenyl-N-methylidenemethanimidamide?
The InChIKey is BYPNFAJTWYWJCA-CVDVRWGVSA-N. The full InChI is InChI=1S/C4H6N2.C2H6/c1-3-6-4-5-2;1-2/h3-4H,1-2H2;1-2H3/b6-4+;.
What are the key properties of ethane;N'-ethenyl-N-methylidenemethanimidamide?
ethane;N'-ethenyl-N-methylidenemethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethenyl-N-methylidenemethanimidamide is sourced from PubChem (CID 143822085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).