4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine

C14H23NO — CID 89261349

IUPAC4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine
SMILESC=C/C(=C\C=C(/C)CN1CCOCC1)CC
InChIInChI=1S/C14H23NO/c1-4-14(5-2)7-6-13(3)12-15-8-10-16-11-9-15/h4,6-7H,1,5,8-12H2,2-3H3/b13-6+,14-7+
InChIKeyOWRDJDILTJTPDU-AANLELRNSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds5

About 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine

4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine (PubChem CID 89261349) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine.

Molecular Properties

Compound Name4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine
PubChem CID89261349
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine
SMILESC=C/C(=C\C=C(/C)CN1CCOCC1)CC
InChIInChI=1S/C14H23NO/c1-4-14(5-2)7-6-13(3)12-15-8-10-16-11-9-15/h4,6-7H,1,5,8-12H2,2-3H3/b13-6+,14-7+
InChIKeyOWRDJDILTJTPDU-AANLELRNSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine?
The IUPAC name of 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine (CID 89261349) is 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine.
What is the SMILES notation for 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine?
The canonical SMILES for 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine is C=C/C(=C\C=C(/C)CN1CCOCC1)CC.
What is the InChIKey of 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine?
The InChIKey is OWRDJDILTJTPDU-AANLELRNSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(5-2)7-6-13(3)12-15-8-10-16-11-9-15/h4,6-7H,1,5,8-12H2,2-3H3/b13-6+,14-7+.
What are the key properties of 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine?
4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine has a molecular weight of 221.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-5-ethyl-2-methylhepta-2,4,6-trienyl]morpholine is sourced from PubChem (CID 89261349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).