(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine

C14H18N4 — CID 20789347

IUPAC(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine
SMILESCc1ccc(C)n1/N=C/C=N/n1c(C)ccc1C
InChIInChI=1S/C14H18N4/c1-11-5-6-12(2)17(11)15-9-10-16-18-13(3)7-8-14(18)4/h5-10H,1-4H3/b15-9+,16-10+
InChIKeyPPXIGOLBZPYMNF-KAVGSWPWSA-N
MW242.33 g/mol
LogP2.89
Rot. Bonds3

About (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine

(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine (PubChem CID 20789347) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine.

Molecular Properties

Compound Name(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine
PubChem CID20789347
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine
SMILESCc1ccc(C)n1/N=C/C=N/n1c(C)ccc1C
InChIInChI=1S/C14H18N4/c1-11-5-6-12(2)17(11)15-9-10-16-18-13(3)7-8-14(18)4/h5-10H,1-4H3/b15-9+,16-10+
InChIKeyPPXIGOLBZPYMNF-KAVGSWPWSA-N
XLogP2.89
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine?
The IUPAC name of (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine (CID 20789347) is (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine.
What is the SMILES notation for (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine?
The canonical SMILES for (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine is Cc1ccc(C)n1/N=C/C=N/n1c(C)ccc1C.
What is the InChIKey of (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine?
The InChIKey is PPXIGOLBZPYMNF-KAVGSWPWSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-5-6-12(2)17(11)15-9-10-16-18-13(3)7-8-14(18)4/h5-10H,1-4H3/b15-9+,16-10+.
What are the key properties of (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine?
(E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine has a molecular weight of 242.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(2,5-dimethylpyrrol-1-yl)ethane-1,2-diimine is sourced from PubChem (CID 20789347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).