N'-buta-2,3-dienylmethanediimine

C5H6N2 — CID 174911256

IUPACN'-buta-2,3-dienylmethanediimine
SMILESC=C=CCN=C=N
InChIInChI=1S/C5H6N2/c1-2-3-4-7-5-6/h3,6H,1,4H2
InChIKeyUZGGYCJIIWRPCZ-UHFFFAOYSA-N
MW94.12 g/mol
LogP1.08
Rot. Bonds2

About N'-buta-2,3-dienylmethanediimine

N'-buta-2,3-dienylmethanediimine (PubChem CID 174911256) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is N'-buta-2,3-dienylmethanediimine.

Molecular Properties

Compound NameN'-buta-2,3-dienylmethanediimine
PubChem CID174911256
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC NameN'-buta-2,3-dienylmethanediimine
SMILESC=C=CCN=C=N
InChIInChI=1S/C5H6N2/c1-2-3-4-7-5-6/h3,6H,1,4H2
InChIKeyUZGGYCJIIWRPCZ-UHFFFAOYSA-N
XLogP1.08
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-buta-2,3-dienylmethanediimine 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'-(2,3-dimethylbutyl)methanediimine
CID 150948733
N'-ethylmethanediimine;methanol
CID 172822165
6-chlorohexa-1,2-diene
CID 11137141
5-methylocta-1,2-dien-7-yne
CID 123251919
ethenimine;hydrate
CID 173030024
ethenimine;silane
CID 173023188
N-methylmethanamine;N'-propylmethanediimine
CID 21287161
3-(iminomethylideneamino)propan-1-amine;hydrochloride
CID 87898615
4-methylperoxybuta-1,2-diene
CID 15357494
1-buta-2,3-dienylcyclopentene
CID 57298575
trimethyl(octa-6,7-dien-1-ynyl)silane
CID 10932018
7-methylocta-1,2-diene
CID 90830179

Frequently Asked Questions

What is the IUPAC name of N'-buta-2,3-dienylmethanediimine?
The IUPAC name of N'-buta-2,3-dienylmethanediimine (CID 174911256) is N'-buta-2,3-dienylmethanediimine.
What is the SMILES notation for N'-buta-2,3-dienylmethanediimine?
The canonical SMILES for N'-buta-2,3-dienylmethanediimine is C=C=CCN=C=N.
What is the InChIKey of N'-buta-2,3-dienylmethanediimine?
The InChIKey is UZGGYCJIIWRPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-2-3-4-7-5-6/h3,6H,1,4H2.
What are the key properties of N'-buta-2,3-dienylmethanediimine?
N'-buta-2,3-dienylmethanediimine has a molecular weight of 94.12 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-buta-2,3-dienylmethanediimine is sourced from PubChem (CID 174911256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).