1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine

C13H22N2 — CID 126593497

IUPAC1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine
SMILESCCC/C=C/N=C(C)/C=N/C=C/C(C)C
InChIInChI=1S/C13H22N2/c1-5-6-7-9-15-13(4)11-14-10-8-12(2)3/h7-12H,5-6H2,1-4H3/b9-7+,10-8+,14-11+,15-13+
InChIKeyYGZLDZXBZHONQU-FQTVTVPQSA-N
MW206.33 g/mol
LogP4.00
Rot. Bonds6

About 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine

1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine (PubChem CID 126593497) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine.

Molecular Properties

Compound Name1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine
PubChem CID126593497
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine
SMILESCCC/C=C/N=C(C)/C=N/C=C/C(C)C
InChIInChI=1S/C13H22N2/c1-5-6-7-9-15-13(4)11-14-10-8-12(2)3/h7-12H,5-6H2,1-4H3/b9-7+,10-8+,14-11+,15-13+
InChIKeyYGZLDZXBZHONQU-FQTVTVPQSA-N
XLogP4.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.00
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 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine?
The IUPAC name of 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine (CID 126593497) is 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine.
What is the SMILES notation for 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine?
The canonical SMILES for 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine is CCC/C=C/N=C(C)/C=N/C=C/C(C)C.
What is the InChIKey of 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine?
The InChIKey is YGZLDZXBZHONQU-FQTVTVPQSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-7-9-15-13(4)11-14-10-8-12(2)3/h7-12H,5-6H2,1-4H3/b9-7+,10-8+,14-11+,15-13+.
What are the key properties of 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine?
1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine has a molecular weight of 206.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(E)-3-methylbut-1-enyl]-2-N-[(E)-pent-1-enyl]propane-1,2-diimine is sourced from PubChem (CID 126593497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).