1-N-ethylpent-4-ene-1,2-diimine

C7H12N2 — CID 138636708

IUPAC1-N-ethylpent-4-ene-1,2-diimine
SMILES[H]/N=C(/C=N/CC)CC=C
InChIInChI=1S/C7H12N2/c1-3-5-7(8)6-9-4-2/h3,6,8H,1,4-5H2,2H3/b8-7+,9-6+
InChIKeyVWHIXEDKYWIKQM-KHHFIZIMSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds4

About 1-N-ethylpent-4-ene-1,2-diimine

1-N-ethylpent-4-ene-1,2-diimine (PubChem CID 138636708) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-N-ethylpent-4-ene-1,2-diimine.

Molecular Properties

Compound Name1-N-ethylpent-4-ene-1,2-diimine
PubChem CID138636708
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-N-ethylpent-4-ene-1,2-diimine
SMILES[H]/N=C(/C=N/CC)CC=C
InChIInChI=1S/C7H12N2/c1-3-5-7(8)6-9-4-2/h3,6,8H,1,4-5H2,2H3/b8-7+,9-6+
InChIKeyVWHIXEDKYWIKQM-KHHFIZIMSA-N
XLogP1.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 1-N-ethylpent-4-ene-1,2-diimine?
The IUPAC name of 1-N-ethylpent-4-ene-1,2-diimine (CID 138636708) is 1-N-ethylpent-4-ene-1,2-diimine.
What is the SMILES notation for 1-N-ethylpent-4-ene-1,2-diimine?
The canonical SMILES for 1-N-ethylpent-4-ene-1,2-diimine is [H]/N=C(/C=N/CC)CC=C.
What is the InChIKey of 1-N-ethylpent-4-ene-1,2-diimine?
The InChIKey is VWHIXEDKYWIKQM-KHHFIZIMSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-7(8)6-9-4-2/h3,6,8H,1,4-5H2,2H3/b8-7+,9-6+.
What are the key properties of 1-N-ethylpent-4-ene-1,2-diimine?
1-N-ethylpent-4-ene-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethylpent-4-ene-1,2-diimine is sourced from PubChem (CID 138636708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).