(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide

C8H14N4 — CID 142462161

IUPAC(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide
SMILESC=N/C(C)=C(/N=C/C)C(\N)=N\C
InChIInChI=1S/C8H14N4/c1-5-12-7(6(2)10-3)8(9)11-4/h5H,3H2,1-2,4H3,(H2,9,11)/b7-6+,12-5+
InChIKeyJXLVIYFBFAQDQV-WDNXFHRVSA-N
MW166.23 g/mol
LogP1.00
Rot. Bonds3

About (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide

(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide (PubChem CID 142462161) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide.

Molecular Properties

Compound Name(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide
PubChem CID142462161
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide
SMILESC=N/C(C)=C(/N=C/C)C(\N)=N\C
InChIInChI=1S/C8H14N4/c1-5-12-7(6(2)10-3)8(9)11-4/h5H,3H2,1-2,4H3,(H2,9,11)/b7-6+,12-5+
InChIKeyJXLVIYFBFAQDQV-WDNXFHRVSA-N
XLogP1.00
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide?
The IUPAC name of (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide (CID 142462161) is (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide.
What is the SMILES notation for (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide?
The canonical SMILES for (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide is C=N/C(C)=C(/N=C/C)C(\N)=N\C.
What is the InChIKey of (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide?
The InChIKey is JXLVIYFBFAQDQV-WDNXFHRVSA-N. The full InChI is InChI=1S/C8H14N4/c1-5-12-7(6(2)10-3)8(9)11-4/h5H,3H2,1-2,4H3,(H2,9,11)/b7-6+,12-5+.
What are the key properties of (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide?
(E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide has a molecular weight of 166.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethylideneamino)-N'-methyl-3-(methylideneamino)but-2-enimidamide is sourced from PubChem (CID 142462161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).