2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine

C8H12N2 — CID 90806045

IUPAC2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine
SMILESC=CC(=C/N=C/C)/C=N/C
InChIInChI=1S/C8H12N2/c1-4-8(6-9-3)7-10-5-2/h4-7H,1H2,2-3H3/b8-7?,9-6+,10-5+
InChIKeyPUGDFOHMNQBVJC-OICJJJDDSA-N
MW136.20 g/mol
LogP1.85
Rot. Bonds3

About 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine

2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine (PubChem CID 90806045) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine.

Molecular Properties

Compound Name2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine
PubChem CID90806045
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine
SMILESC=CC(=C/N=C/C)/C=N/C
InChIInChI=1S/C8H12N2/c1-4-8(6-9-3)7-10-5-2/h4-7H,1H2,2-3H3/b8-7?,9-6+,10-5+
InChIKeyPUGDFOHMNQBVJC-OICJJJDDSA-N
XLogP1.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-2-fluoroprop-1-enyl]-2-methylidenebut-3-en-1-imine
CID 166998224
2-methylidene-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]but-3-en-1-imine
CID 166998242
[(E)-4-(dimethylamino)-3-(dimethylazaniumylidenemethyl)but-3-enylidene]-dimethylazanium
CID 59549141
N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]ethanimine
CID 88228740
N-[(1Z)-3-methylbuta-1,3-dienyl]pentan-1-imine
CID 88858217
N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
CID 88884962
(2Z)-2-ethenyl-N-methylpenta-2,4-dien-1-imine
CID 89085053
(1E)-2-methyl-3-N-[(Z)-prop-1-enyl]-1-N-prop-2-enylidenepenta-1,4-diene-1,3-diimine
CID 89088417
N-[(Z)-3-methylidenepent-1-enyl]ethanimine
CID 89125593
N-[(1Z)-3-methylpenta-1,4-dienyl]prop-2-en-1-imine
CID 89138641
N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine
CID 89300744
ethylidene-methyl-[(1Z)-3-methylbuta-1,3-dienyl]azanium
CID 89318636

Frequently Asked Questions

What is the IUPAC name of 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine?
The IUPAC name of 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine (CID 90806045) is 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine.
What is the SMILES notation for 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine?
The canonical SMILES for 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine is C=CC(=C/N=C/C)/C=N/C.
What is the InChIKey of 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine?
The InChIKey is PUGDFOHMNQBVJC-OICJJJDDSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-8(6-9-3)7-10-5-2/h4-7H,1H2,2-3H3/b8-7?,9-6+,10-5+.
What are the key properties of 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine?
2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine has a molecular weight of 136.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine is sourced from PubChem (CID 90806045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).