2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine

C13H22N2 — CID 134594285

IUPAC2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine
SMILESC=CC(/C=N/C)CC(C)/N=C/C=C\CC
InChIInChI=1S/C13H22N2/c1-5-7-8-9-15-12(3)10-13(6-2)11-14-4/h6-9,11-13H,2,5,10H2,1,3-4H3/b8-7-,14-11+,15-9+
InChIKeyPRPWHVPFNDFFHI-LUBLAHCNSA-N
MW206.33 g/mol
LogP3.30
Rot. Bonds7

About 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine

2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine (PubChem CID 134594285) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine.

Molecular Properties

Compound Name2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine
PubChem CID134594285
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine
SMILESC=CC(/C=N/C)CC(C)/N=C/C=C\CC
InChIInChI=1S/C13H22N2/c1-5-7-8-9-15-12(3)10-13(6-2)11-14-4/h6-9,11-13H,2,5,10H2,1,3-4H3/b8-7-,14-11+,15-9+
InChIKeyPRPWHVPFNDFFHI-LUBLAHCNSA-N
XLogP3.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.30
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 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine?
The IUPAC name of 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine (CID 134594285) is 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine.
What is the SMILES notation for 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine?
The canonical SMILES for 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine is C=CC(/C=N/C)CC(C)/N=C/C=C\CC.
What is the InChIKey of 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine?
The InChIKey is PRPWHVPFNDFFHI-LUBLAHCNSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-7-8-9-15-12(3)10-13(6-2)11-14-4/h6-9,11-13H,2,5,10H2,1,3-4H3/b8-7-,14-11+,15-9+.
What are the key properties of 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine?
2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine has a molecular weight of 206.33 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-N-methyl-4-N-[(Z)-pent-2-enylidene]pentane-1,4-diimine is sourced from PubChem (CID 134594285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).