N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide

C8H12N2 — CID 130434344

IUPACN'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide
SMILESC=C/N=C(C)/N=C/C(=C)C
InChIInChI=1S/C8H12N2/c1-5-9-8(4)10-6-7(2)3/h5-6H,1-2H2,3-4H3/b9-8+,10-6+
InChIKeyQTBFQKHIYRLDFU-JSAGYHNASA-N
MW136.20 g/mol
LogP2.20
Rot. Bonds2

About N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide

N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide (PubChem CID 130434344) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide
PubChem CID130434344
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide
SMILESC=C/N=C(C)/N=C/C(=C)C
InChIInChI=1S/C8H12N2/c1-5-9-8(4)10-6-7(2)3/h5-6H,1-2H2,3-4H3/b9-8+,10-6+
InChIKeyQTBFQKHIYRLDFU-JSAGYHNASA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide?
The IUPAC name of N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide (CID 130434344) is N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide.
What is the SMILES notation for N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide?
The canonical SMILES for N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide is C=C/N=C(C)/N=C/C(=C)C.
What is the InChIKey of N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide?
The InChIKey is QTBFQKHIYRLDFU-JSAGYHNASA-N. The full InChI is InChI=1S/C8H12N2/c1-5-9-8(4)10-6-7(2)3/h5-6H,1-2H2,3-4H3/b9-8+,10-6+.
What are the key properties of N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide?
N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide has a molecular weight of 136.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-(2-methylprop-2-enylidene)ethanimidamide is sourced from PubChem (CID 130434344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).