4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine

C15H29N3O — CID 18547138

IUPAC4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine
SMILESC/C=C(\C(C)N1CCNC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H29N3O/c1-5-14(13(2)17-7-6-16-12-17)15(3,4)18-8-10-19-11-9-18/h5,13,16H,6-12H2,1-4H3/b14-5+
InChIKeyOGBQKVKELZOTBU-LHHJGKSTSA-N
MW267.42 g/mol
LogP1.29
Rot. Bonds4

About 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine

4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine (PubChem CID 18547138) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine
PubChem CID18547138
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine
SMILESC/C=C(\C(C)N1CCNC1)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H29N3O/c1-5-14(13(2)17-7-6-16-12-17)15(3,4)18-8-10-19-11-9-18/h5,13,16H,6-12H2,1-4H3/b14-5+
InChIKeyOGBQKVKELZOTBU-LHHJGKSTSA-N
XLogP1.29
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
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)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine?
The IUPAC name of 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine (CID 18547138) is 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine?
The canonical SMILES for 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine is C/C=C(\C(C)N1CCNC1)C(C)(C)N1CCOCC1.
What is the InChIKey of 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine?
The InChIKey is OGBQKVKELZOTBU-LHHJGKSTSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-14(13(2)17-7-6-16-12-17)15(3,4)18-8-10-19-11-9-18/h5,13,16H,6-12H2,1-4H3/b14-5+.
What are the key properties of 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine?
4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine has a molecular weight of 267.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(1-imidazolidin-1-ylethyl)-2-methylpent-3-en-2-yl]morpholine is sourced from PubChem (CID 18547138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).