(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine

C11H19N3 — CID 134345178

IUPAC(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
SMILESC/C=C\C=C(/N=C\C)N1CCNCC1
InChIInChI=1S/C11H19N3/c1-3-5-6-11(13-4-2)14-9-7-12-8-10-14/h3-6,12H,7-10H2,1-2H3/b5-3-,11-6+,13-4-
InChIKeyOAKHJTOHRSRLMS-DVYHLJTQSA-N
MW193.29 g/mol
LogP1.40
Rot. Bonds3

About (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine

(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine (PubChem CID 134345178) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
PubChem CID134345178
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine
SMILESC/C=C\C=C(/N=C\C)N1CCNCC1
InChIInChI=1S/C11H19N3/c1-3-5-6-11(13-4-2)14-9-7-12-8-10-14/h3-6,12H,7-10H2,1-2H3/b5-3-,11-6+,13-4-
InChIKeyOAKHJTOHRSRLMS-DVYHLJTQSA-N
XLogP1.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine?
The IUPAC name of (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine (CID 134345178) is (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine.
What is the SMILES notation for (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine?
The canonical SMILES for (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine is C/C=C\C=C(/N=C\C)N1CCNCC1.
What is the InChIKey of (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine?
The InChIKey is OAKHJTOHRSRLMS-DVYHLJTQSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-5-6-11(13-4-2)14-9-7-12-8-10-14/h3-6,12H,7-10H2,1-2H3/b5-3-,11-6+,13-4-.
What are the key properties of (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine?
(Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine has a molecular weight of 193.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1Z,3Z)-1-piperazin-1-ylpenta-1,3-dienyl]ethanimine is sourced from PubChem (CID 134345178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).