(2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine

C19H30N2 — CID 155356808

IUPAC(2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine
SMILESC/C=C\C(C(=C\C)\C=N\C)=C(\N=C\CC)C(/C)=C/CCC
InChIInChI=1S/C19H30N2/c1-7-11-13-16(5)19(21-14-9-3)18(12-8-2)17(10-4)15-20-6/h8,10,12-15H,7,9,11H2,1-6H3/b12-8-,16-13+,17-10+,19-18-,20-15+,21-14+
InChIKeyPZLZHLXFLMZLOA-VEUUSWQSSA-N
MW286.46 g/mol
LogP5.69
Rot. Bonds8

About (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine

(2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine (PubChem CID 155356808) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine.

Molecular Properties

Compound Name(2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine
PubChem CID155356808
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine
SMILESC/C=C\C(C(=C\C)\C=N\C)=C(\N=C\CC)C(/C)=C/CCC
InChIInChI=1S/C19H30N2/c1-7-11-13-16(5)19(21-14-9-3)18(12-8-2)17(10-4)15-20-6/h8,10,12-15H,7,9,11H2,1-6H3/b12-8-,16-13+,17-10+,19-18-,20-15+,21-14+
InChIKeyPZLZHLXFLMZLOA-VEUUSWQSSA-N
XLogP5.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine?
The IUPAC name of (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine (CID 155356808) is (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine.
What is the SMILES notation for (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine?
The canonical SMILES for (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine is C/C=C\C(C(=C\C)\C=N\C)=C(\N=C\CC)C(/C)=C/CCC.
What is the InChIKey of (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine?
The InChIKey is PZLZHLXFLMZLOA-VEUUSWQSSA-N. The full InChI is InChI=1S/C19H30N2/c1-7-11-13-16(5)19(21-14-9-3)18(12-8-2)17(10-4)15-20-6/h8,10,12-15H,7,9,11H2,1-6H3/b12-8-,16-13+,17-10+,19-18-,20-15+,21-14+.
What are the key properties of (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine?
(2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine has a molecular weight of 286.46 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z,5E)-2-ethylidene-1-N,5-dimethyl-3-[(Z)-prop-1-enyl]-4-N-propylidenenona-3,5-diene-1,4-diimine is sourced from PubChem (CID 155356808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).