(Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine

C15H21N — CID 123395754

IUPAC(Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine
SMILESC=C(/C=C/C(C=CC)=CC)/N=C(C)/C=C\C
InChIInChI=1S/C15H21N/c1-6-9-13(4)16-14(5)11-12-15(8-3)10-7-2/h6-12H,5H2,1-4H3/b9-6-,10-7?,12-11+,15-8?,16-13+
InChIKeyMAPFOXDWSLACPT-JFCVJBBWSA-N
MW215.34 g/mol
LogP4.62
Rot. Bonds5

About (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine

(Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine (PubChem CID 123395754) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine
PubChem CID123395754
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine
SMILESC=C(/C=C/C(C=CC)=CC)/N=C(C)/C=C\C
InChIInChI=1S/C15H21N/c1-6-9-13(4)16-14(5)11-12-15(8-3)10-7-2/h6-12H,5H2,1-4H3/b9-6-,10-7?,12-11+,15-8?,16-13+
InChIKeyMAPFOXDWSLACPT-JFCVJBBWSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine?
The IUPAC name of (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine (CID 123395754) is (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine?
The canonical SMILES for (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine is C=C(/C=C/C(C=CC)=CC)/N=C(C)/C=C\C.
What is the InChIKey of (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine?
The InChIKey is MAPFOXDWSLACPT-JFCVJBBWSA-N. The full InChI is InChI=1S/C15H21N/c1-6-9-13(4)16-14(5)11-12-15(8-3)10-7-2/h6-12H,5H2,1-4H3/b9-6-,10-7?,12-11+,15-8?,16-13+.
What are the key properties of (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine?
(Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine has a molecular weight of 215.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3E)-5-ethylideneocta-1,3,6-trien-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 123395754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).