N'-ethylideneethane-1,2-diimine

C4H8N2 — CID 57279987

IUPACN'-ethylideneethane-1,2-diimine
SMILES[H]/N=C/C/N=C/C
InChIInChI=1S/C4H8N2/c1-2-6-4-3-5/h2-3,5H,4H2,1H3/b5-3+,6-2+
InChIKeyXPPNPZJIEXRKEL-BNNIKMIXSA-N
MW84.12 g/mol
LogP0.73
Rot. Bonds2

About N'-ethylideneethane-1,2-diimine

N'-ethylideneethane-1,2-diimine (PubChem CID 57279987) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is N'-ethylideneethane-1,2-diimine.

Molecular Properties

Compound NameN'-ethylideneethane-1,2-diimine
PubChem CID57279987
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC NameN'-ethylideneethane-1,2-diimine
SMILES[H]/N=C/C/N=C/C
InChIInChI=1S/C4H8N2/c1-2-6-4-3-5/h2-3,5H,4H2,1H3/b5-3+,6-2+
InChIKeyXPPNPZJIEXRKEL-BNNIKMIXSA-N
XLogP0.73
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethylideneethane-1,2-diimine?
The IUPAC name of N'-ethylideneethane-1,2-diimine (CID 57279987) is N'-ethylideneethane-1,2-diimine.
What is the SMILES notation for N'-ethylideneethane-1,2-diimine?
The canonical SMILES for N'-ethylideneethane-1,2-diimine is [H]/N=C/C/N=C/C.
What is the InChIKey of N'-ethylideneethane-1,2-diimine?
The InChIKey is XPPNPZJIEXRKEL-BNNIKMIXSA-N. The full InChI is InChI=1S/C4H8N2/c1-2-6-4-3-5/h2-3,5H,4H2,1H3/b5-3+,6-2+.
What are the key properties of N'-ethylideneethane-1,2-diimine?
N'-ethylideneethane-1,2-diimine has a molecular weight of 84.12 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylideneethane-1,2-diimine is sourced from PubChem (CID 57279987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).