N-ethenyl-N'-propan-2-ylethane-1,2-diimine

C7H12N2 — CID 89423960

IUPACN-ethenyl-N'-propan-2-ylethane-1,2-diimine
SMILESC=C/N=C/C=N/C(C)C
InChIInChI=1S/C7H12N2/c1-4-8-5-6-9-7(2)3/h4-7H,1H2,2-3H3/b8-5+,9-6+
InChIKeyVQIDKOSSTGLIJH-XVYDYJIPSA-N
MW124.19 g/mol
LogP1.68
Rot. Bonds3

About N-ethenyl-N'-propan-2-ylethane-1,2-diimine

N-ethenyl-N'-propan-2-ylethane-1,2-diimine (PubChem CID 89423960) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-ethenyl-N'-propan-2-ylethane-1,2-diimine.

Molecular Properties

Compound NameN-ethenyl-N'-propan-2-ylethane-1,2-diimine
PubChem CID89423960
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-ethenyl-N'-propan-2-ylethane-1,2-diimine
SMILESC=C/N=C/C=N/C(C)C
InChIInChI=1S/C7H12N2/c1-4-8-5-6-9-7(2)3/h4-7H,1H2,2-3H3/b8-5+,9-6+
InChIKeyVQIDKOSSTGLIJH-XVYDYJIPSA-N
XLogP1.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-ethenyl-N'-propan-2-ylethane-1,2-diimine?
The IUPAC name of N-ethenyl-N'-propan-2-ylethane-1,2-diimine (CID 89423960) is N-ethenyl-N'-propan-2-ylethane-1,2-diimine.
What is the SMILES notation for N-ethenyl-N'-propan-2-ylethane-1,2-diimine?
The canonical SMILES for N-ethenyl-N'-propan-2-ylethane-1,2-diimine is C=C/N=C/C=N/C(C)C.
What is the InChIKey of N-ethenyl-N'-propan-2-ylethane-1,2-diimine?
The InChIKey is VQIDKOSSTGLIJH-XVYDYJIPSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-8-5-6-9-7(2)3/h4-7H,1H2,2-3H3/b8-5+,9-6+.
What are the key properties of N-ethenyl-N'-propan-2-ylethane-1,2-diimine?
N-ethenyl-N'-propan-2-ylethane-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-propan-2-ylethane-1,2-diimine is sourced from PubChem (CID 89423960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).