N,N'-bis(prop-2-enyl)ethane-1,2-diimine

C8H12N2 — CID 89497565

IUPACN,N'-bis(prop-2-enyl)ethane-1,2-diimine
SMILESC=CC/N=C/C=N/CC=C
InChIInChI=1S/C8H12N2/c1-3-5-9-7-8-10-6-4-2/h3-4,7-8H,1-2,5-6H2/b9-7+,10-8+
InChIKeyPFDZIDNUECTSIF-FIFLTTCUSA-N
MW136.20 g/mol
LogP1.50
Rot. Bonds5

About N,N'-bis(prop-2-enyl)ethane-1,2-diimine

N,N'-bis(prop-2-enyl)ethane-1,2-diimine (PubChem CID 89497565) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)ethane-1,2-diimine
PubChem CID89497565
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN,N'-bis(prop-2-enyl)ethane-1,2-diimine
SMILESC=CC/N=C/C=N/CC=C
InChIInChI=1S/C8H12N2/c1-3-5-9-7-8-10-6-4-2/h3-4,7-8H,1-2,5-6H2/b9-7+,10-8+
InChIKeyPFDZIDNUECTSIF-FIFLTTCUSA-N
XLogP1.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(prop-2-enyl)ethane-1,2-diimine?
The IUPAC name of N,N'-bis(prop-2-enyl)ethane-1,2-diimine (CID 89497565) is N,N'-bis(prop-2-enyl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(prop-2-enyl)ethane-1,2-diimine?
The canonical SMILES for N,N'-bis(prop-2-enyl)ethane-1,2-diimine is C=CC/N=C/C=N/CC=C.
What is the InChIKey of N,N'-bis(prop-2-enyl)ethane-1,2-diimine?
The InChIKey is PFDZIDNUECTSIF-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-9-7-8-10-6-4-2/h3-4,7-8H,1-2,5-6H2/b9-7+,10-8+.
What are the key properties of N,N'-bis(prop-2-enyl)ethane-1,2-diimine?
N,N'-bis(prop-2-enyl)ethane-1,2-diimine has a molecular weight of 136.20 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)ethane-1,2-diimine is sourced from PubChem (CID 89497565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).