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

C12H21N3O — CID 58203912

IUPAC4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine
SMILESCC(C)c1nccn1CCN1CCOCC1
InChIInChI=1S/C12H21N3O/c1-11(2)12-13-3-4-15(12)6-5-14-7-9-16-10-8-14/h3-4,11H,5-10H2,1-2H3
InChIKeyIWQWTQKFRHOHRX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.34
Rot. Bonds4

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

4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine (PubChem CID 58203912) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine
PubChem CID58203912
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine
SMILESCC(C)c1nccn1CCN1CCOCC1
InChIInChI=1S/C12H21N3O/c1-11(2)12-13-3-4-15(12)6-5-14-7-9-16-10-8-14/h3-4,11H,5-10H2,1-2H3
InChIKeyIWQWTQKFRHOHRX-UHFFFAOYSA-N
XLogP1.34
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine (CID 58203912) is 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine is CC(C)c1nccn1CCN1CCOCC1.
What is the InChIKey of 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine?
The InChIKey is IWQWTQKFRHOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2)12-13-3-4-15(12)6-5-14-7-9-16-10-8-14/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine?
4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 58203912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).