4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine

C13H23N3O — CID 129190893

IUPAC4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine
SMILESCCC(C)c1nccn1CCN1CCOCC1
InChIInChI=1S/C13H23N3O/c1-3-12(2)13-14-4-5-16(13)7-6-15-8-10-17-11-9-15/h4-5,12H,3,6-11H2,1-2H3
InChIKeyJELDJTUWSAHNSS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.73
Rot. Bonds5

About 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine

4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine (PubChem CID 129190893) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine
PubChem CID129190893
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine
SMILESCCC(C)c1nccn1CCN1CCOCC1
InChIInChI=1S/C13H23N3O/c1-3-12(2)13-14-4-5-16(13)7-6-15-8-10-17-11-9-15/h4-5,12H,3,6-11H2,1-2H3
InChIKeyJELDJTUWSAHNSS-UHFFFAOYSA-N
XLogP1.73
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine (CID 129190893) is 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine is CCC(C)c1nccn1CCN1CCOCC1.
What is the InChIKey of 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine?
The InChIKey is JELDJTUWSAHNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-12(2)13-14-4-5-16(13)7-6-15-8-10-17-11-9-15/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine?
4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine has a molecular weight of 237.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butan-2-ylimidazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 129190893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).