(E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine

C13H20N2 — CID 129170346

IUPAC(E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine
SMILESC=CCC(/C=N/CCC)=C\C(C)=N\C=C
InChIInChI=1S/C13H20N2/c1-5-8-13(11-14-9-6-2)10-12(4)15-7-3/h5,7,10-11H,1,3,6,8-9H2,2,4H3/b13-10+,14-11+,15-12+
InChIKeyGDNSXCMJZVXVGS-DZURWXOBSA-N
MW204.32 g/mol
LogP3.57
Rot. Bonds7

About (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine

(E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine (PubChem CID 129170346) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine.

Molecular Properties

Compound Name(E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine
PubChem CID129170346
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine
SMILESC=CCC(/C=N/CCC)=C\C(C)=N\C=C
InChIInChI=1S/C13H20N2/c1-5-8-13(11-14-9-6-2)10-12(4)15-7-3/h5,7,10-11H,1,3,6,8-9H2,2,4H3/b13-10+,14-11+,15-12+
InChIKeyGDNSXCMJZVXVGS-DZURWXOBSA-N
XLogP3.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.57
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 (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine?
The IUPAC name of (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine (CID 129170346) is (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine.
What is the SMILES notation for (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine?
The canonical SMILES for (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine is C=CCC(/C=N/CCC)=C\C(C)=N\C=C.
What is the InChIKey of (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine?
The InChIKey is GDNSXCMJZVXVGS-DZURWXOBSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-8-13(11-14-9-6-2)10-12(4)15-7-3/h5,7,10-11H,1,3,6,8-9H2,2,4H3/b13-10+,14-11+,15-12+.
What are the key properties of (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine?
(E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine has a molecular weight of 204.32 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-N-ethenyl-2-prop-2-enyl-1-N-propylpent-2-ene-1,4-diimine is sourced from PubChem (CID 129170346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).