N-(ethylideneamino)but-3-en-2-imine

C6H10N2 — CID 123768954

IUPACN-(ethylideneamino)but-3-en-2-imine
SMILESC=CC(C)=NN=CC
InChIInChI=1S/C6H10N2/c1-4-6(3)8-7-5-2/h4-5H,1H2,2-3H3
InChIKeyHLZIIKPUOFPRAC-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.64
Rot. Bonds2

About N-(ethylideneamino)but-3-en-2-imine

N-(ethylideneamino)but-3-en-2-imine (PubChem CID 123768954) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-(ethylideneamino)but-3-en-2-imine.

Molecular Properties

Compound NameN-(ethylideneamino)but-3-en-2-imine
PubChem CID123768954
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-(ethylideneamino)but-3-en-2-imine
SMILESC=CC(C)=NN=CC
InChIInChI=1S/C6H10N2/c1-4-6(3)8-7-5-2/h4-5H,1H2,2-3H3
InChIKeyHLZIIKPUOFPRAC-UHFFFAOYSA-N
XLogP1.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(ethylideneamino)but-3-en-2-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(ethylideneamino)but-3-en-2-imine?
The IUPAC name of N-(ethylideneamino)but-3-en-2-imine (CID 123768954) is N-(ethylideneamino)but-3-en-2-imine.
What is the SMILES notation for N-(ethylideneamino)but-3-en-2-imine?
The canonical SMILES for N-(ethylideneamino)but-3-en-2-imine is C=CC(C)=NN=CC.
What is the InChIKey of N-(ethylideneamino)but-3-en-2-imine?
The InChIKey is HLZIIKPUOFPRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(3)8-7-5-2/h4-5H,1H2,2-3H3.
What are the key properties of N-(ethylideneamino)but-3-en-2-imine?
N-(ethylideneamino)but-3-en-2-imine has a molecular weight of 110.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylideneamino)but-3-en-2-imine is sourced from PubChem (CID 123768954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).