ethane;N-methylidenemethanimidamide

C4H10N2 — CID 145063596

IUPACethane;N-methylidenemethanimidamide
SMILESCC.[H]/N=C/N=C
InChIInChI=1S/C2H4N2.C2H6/c1-4-2-3;1-2/h2-3H,1H2;1-2H3/b3-2+;
InChIKeyKJOCLVDCBYJBEE-SQQVDAMQSA-N
MW86.14 g/mol
LogP1.32
Rot. Bonds1

About ethane;N-methylidenemethanimidamide

ethane;N-methylidenemethanimidamide (PubChem CID 145063596) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is ethane;N-methylidenemethanimidamide.

Molecular Properties

Compound Nameethane;N-methylidenemethanimidamide
PubChem CID145063596
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Nameethane;N-methylidenemethanimidamide
SMILESCC.[H]/N=C/N=C
InChIInChI=1S/C2H4N2.C2H6/c1-4-2-3;1-2/h2-3H,1H2;1-2H3/b3-2+;
InChIKeyKJOCLVDCBYJBEE-SQQVDAMQSA-N
XLogP1.32
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 51.32
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-methylidenemethanimidamide?
The IUPAC name of ethane;N-methylidenemethanimidamide (CID 145063596) is ethane;N-methylidenemethanimidamide.
What is the SMILES notation for ethane;N-methylidenemethanimidamide?
The canonical SMILES for ethane;N-methylidenemethanimidamide is CC.[H]/N=C/N=C.
What is the InChIKey of ethane;N-methylidenemethanimidamide?
The InChIKey is KJOCLVDCBYJBEE-SQQVDAMQSA-N. The full InChI is InChI=1S/C2H4N2.C2H6/c1-4-2-3;1-2/h2-3H,1H2;1-2H3/b3-2+;.
What are the key properties of ethane;N-methylidenemethanimidamide?
ethane;N-methylidenemethanimidamide has a molecular weight of 86.14 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylidenemethanimidamide is sourced from PubChem (CID 145063596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).