N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine

C12H21N3 — CID 134406298

IUPACN-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
SMILESC/C=N/C(C)=C\C=C\CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-3-14-12(2)6-4-5-9-15-10-7-13-8-11-15/h3-6,13H,7-11H2,1-2H3/b5-4+,12-6-,14-3+
InChIKeyDXOAYRFCQDENRQ-KGQPLYSMSA-N
MW207.32 g/mol
LogP1.44
Rot. Bonds4

About N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine

N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine (PubChem CID 134406298) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
PubChem CID134406298
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine
SMILESC/C=N/C(C)=C\C=C\CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-3-14-12(2)6-4-5-9-15-10-7-13-8-11-15/h3-6,13H,7-11H2,1-2H3/b5-4+,12-6-,14-3+
InChIKeyDXOAYRFCQDENRQ-KGQPLYSMSA-N
XLogP1.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.44
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 N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine (CID 134406298) is N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine is C/C=N/C(C)=C\C=C\CN1CCNCC1.
What is the InChIKey of N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine?
The InChIKey is DXOAYRFCQDENRQ-KGQPLYSMSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-14-12(2)6-4-5-9-15-10-7-13-8-11-15/h3-6,13H,7-11H2,1-2H3/b5-4+,12-6-,14-3+.
What are the key properties of N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine?
N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine has a molecular weight of 207.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-6-piperazin-1-ylhexa-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 134406298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).