4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine

C16H30N2O2 — CID 70027230

IUPAC4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine
SMILESC/C=C(\C(C)N1CCOCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H30N2O2/c1-5-15(14(2)17-6-10-19-11-7-17)16(3,4)18-8-12-20-13-9-18/h5,14H,6-13H2,1-4H3/b15-5+
InChIKeyXZUPCFFIBOKOEY-PJQLUOCWSA-N
MW282.43 g/mol
LogP1.76
Rot. Bonds4

About 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine

4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine (PubChem CID 70027230) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine
PubChem CID70027230
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine
SMILESC/C=C(\C(C)N1CCOCC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C16H30N2O2/c1-5-15(14(2)17-6-10-19-11-7-17)16(3,4)18-8-12-20-13-9-18/h5,14H,6-13H2,1-4H3/b15-5+
InChIKeyXZUPCFFIBOKOEY-PJQLUOCWSA-N
XLogP1.76
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine (CID 70027230) is 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine is C/C=C(\C(C)N1CCOCC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine?
The InChIKey is XZUPCFFIBOKOEY-PJQLUOCWSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-15(14(2)17-6-10-19-11-7-17)16(3,4)18-8-12-20-13-9-18/h5,14H,6-13H2,1-4H3/b15-5+.
What are the key properties of 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine?
4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine has a molecular weight of 282.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-methyl-3-(1-morpholin-4-ylethyl)pent-3-en-2-yl]morpholine is sourced from PubChem (CID 70027230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).