2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine

C14H23N3O2 — CID 114721565

IUPAC2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine
SMILESCC1(C)CC(n2cncc2C2CNCCO2)CCO1
InChIInChI=1S/C14H23N3O2/c1-14(2)7-11(3-5-19-14)17-10-16-8-12(17)13-9-15-4-6-18-13/h8,10-11,13,15H,3-7,9H2,1-2H3
InChIKeyWHVIDSBWZLUDOF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.67
Rot. Bonds2

About 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine

2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine (PubChem CID 114721565) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine
PubChem CID114721565
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine
SMILESCC1(C)CC(n2cncc2C2CNCCO2)CCO1
InChIInChI=1S/C14H23N3O2/c1-14(2)7-11(3-5-19-14)17-10-16-8-12(17)13-9-15-4-6-18-13/h8,10-11,13,15H,3-7,9H2,1-2H3
InChIKeyWHVIDSBWZLUDOF-UHFFFAOYSA-N
XLogP1.67
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine (CID 114721565) is 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine is CC1(C)CC(n2cncc2C2CNCCO2)CCO1.
What is the InChIKey of 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine?
The InChIKey is WHVIDSBWZLUDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2)7-11(3-5-19-14)17-10-16-8-12(17)13-9-15-4-6-18-13/h8,10-11,13,15H,3-7,9H2,1-2H3.
What are the key properties of 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine?
2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine has a molecular weight of 265.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114721565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).