(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine

C23H33N3 — CID 126495587

IUPAC(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCN(C/C(C=C)=C/C=C(C)/C(C=C)=C/C)CC1
InChIInChI=1S/C23H33N3/c1-7-12-23(24-11-5)26-17-15-25(16-18-26)19-21(8-2)14-13-20(6)22(9-3)10-4/h7-14H,2-3,5,15-19H2,1,4,6H3/b12-7-,20-13+,21-14+,22-10+,24-23+
InChIKeyQRIATIVEQGEZIU-XYUYCWADSA-N
MW351.54 g/mol
LogP4.91
Rot. Bonds8

About (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine

(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine (PubChem CID 126495587) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine
PubChem CID126495587
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine
SMILESC=C/N=C(\C=C/C)N1CCN(C/C(C=C)=C/C=C(C)/C(C=C)=C/C)CC1
InChIInChI=1S/C23H33N3/c1-7-12-23(24-11-5)26-17-15-25(16-18-26)19-21(8-2)14-13-20(6)22(9-3)10-4/h7-14H,2-3,5,15-19H2,1,4,6H3/b12-7-,20-13+,21-14+,22-10+,24-23+
InChIKeyQRIATIVEQGEZIU-XYUYCWADSA-N
XLogP4.91
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine?
The IUPAC name of (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine (CID 126495587) is (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine.
What is the SMILES notation for (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine?
The canonical SMILES for (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine is C=C/N=C(\C=C/C)N1CCN(C/C(C=C)=C/C=C(C)/C(C=C)=C/C)CC1.
What is the InChIKey of (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine?
The InChIKey is QRIATIVEQGEZIU-XYUYCWADSA-N. The full InChI is InChI=1S/C23H33N3/c1-7-12-23(24-11-5)26-17-15-25(16-18-26)19-21(8-2)14-13-20(6)22(9-3)10-4/h7-14H,2-3,5,15-19H2,1,4,6H3/b12-7-,20-13+,21-14+,22-10+,24-23+.
What are the key properties of (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine?
(Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine has a molecular weight of 351.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[(2E,4E,6E)-2,6-bis(ethenyl)-5-methylocta-2,4,6-trienyl]piperazin-1-yl]-N-ethenylbut-2-en-1-imine is sourced from PubChem (CID 126495587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).