(E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine

C20H33N — CID 123784423

IUPAC(E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine
SMILESC=C/C(CC)=C(CC)/C(=C\CC)/N=C(/C=C(\C)CC)CC
InChIInChI=1S/C20H33N/c1-8-14-20(19(13-6)17(10-3)11-4)21-18(12-5)15-16(7)9-2/h10,14-15H,3,8-9,11-13H2,1-2,4-7H3/b16-15+,19-17-,20-14+,21-18+
InChIKeyHBPGVBIKUNSXJP-IGGIMIAFSA-N
MW287.49 g/mol
LogP6.79
Rot. Bonds9

About (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine

(E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine (PubChem CID 123784423) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine.

Molecular Properties

Compound Name(E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine
PubChem CID123784423
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine
SMILESC=C/C(CC)=C(CC)/C(=C\CC)/N=C(/C=C(\C)CC)CC
InChIInChI=1S/C20H33N/c1-8-14-20(19(13-6)17(10-3)11-4)21-18(12-5)15-16(7)9-2/h10,14-15H,3,8-9,11-13H2,1-2,4-7H3/b16-15+,19-17-,20-14+,21-18+
InChIKeyHBPGVBIKUNSXJP-IGGIMIAFSA-N
XLogP6.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.79
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 (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine?
The IUPAC name of (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine (CID 123784423) is (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine.
What is the SMILES notation for (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine?
The canonical SMILES for (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine is C=C/C(CC)=C(CC)/C(=C\CC)/N=C(/C=C(\C)CC)CC.
What is the InChIKey of (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine?
The InChIKey is HBPGVBIKUNSXJP-IGGIMIAFSA-N. The full InChI is InChI=1S/C20H33N/c1-8-14-20(19(13-6)17(10-3)11-4)21-18(12-5)15-16(7)9-2/h10,14-15H,3,8-9,11-13H2,1-2,4-7H3/b16-15+,19-17-,20-14+,21-18+.
What are the key properties of (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine?
(E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine has a molecular weight of 287.49 g/mol, XLogP of 6.79, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3E,5E)-5,6-diethylocta-3,5,7-trien-4-yl]-5-methylhept-4-en-3-imine is sourced from PubChem (CID 123784423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).