2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide

C8H12N4 — CID 134484790

IUPAC2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide
SMILESC=N/C(=N\C=N\C)C(=C)/N=C/C
InChIInChI=1S/C8H12N4/c1-5-11-7(2)8(10-4)12-6-9-3/h5-6H,2,4H2,1,3H3/b9-6+,11-5+,12-8-
InChIKeyIWJUVEPQOSVXJG-YVMQMIOYSA-N
MW164.21 g/mol
LogP1.35
Rot. Bonds3

About 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide

2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide (PubChem CID 134484790) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide.

Molecular Properties

Compound Name2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide
PubChem CID134484790
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide
SMILESC=N/C(=N\C=N\C)C(=C)/N=C/C
InChIInChI=1S/C8H12N4/c1-5-11-7(2)8(10-4)12-6-9-3/h5-6H,2,4H2,1,3H3/b9-6+,11-5+,12-8-
InChIKeyIWJUVEPQOSVXJG-YVMQMIOYSA-N
XLogP1.35
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide?
The IUPAC name of 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide (CID 134484790) is 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide.
What is the SMILES notation for 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide?
The canonical SMILES for 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide is C=N/C(=N\C=N\C)C(=C)/N=C/C.
What is the InChIKey of 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide?
The InChIKey is IWJUVEPQOSVXJG-YVMQMIOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5-11-7(2)8(10-4)12-6-9-3/h5-6H,2,4H2,1,3H3/b9-6+,11-5+,12-8-.
What are the key properties of 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide?
2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide has a molecular weight of 164.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-N-methylidene-N'-(methyliminomethyl)prop-2-enimidamide is sourced from PubChem (CID 134484790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).