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

C16H27N3O2 — CID 114721576

IUPAC2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine
SMILESCCC1(CC)CC(n2cncc2C2CNCCO2)CCO1
InChIInChI=1S/C16H27N3O2/c1-3-16(4-2)9-13(5-7-21-16)19-12-18-10-14(19)15-11-17-6-8-20-15/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyKTINLAAVIKJRFA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.45
Rot. Bonds4

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

2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine (PubChem CID 114721576) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine
PubChem CID114721576
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine
SMILESCCC1(CC)CC(n2cncc2C2CNCCO2)CCO1
InChIInChI=1S/C16H27N3O2/c1-3-16(4-2)9-13(5-7-21-16)19-12-18-10-14(19)15-11-17-6-8-20-15/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyKTINLAAVIKJRFA-UHFFFAOYSA-N
XLogP2.45
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine
CID 114721565
2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine
CID 114722523
2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]morpholine
CID 114718728
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-[3-[(1-ethylcyclobutyl)methyl]imidazol-4-yl]morpholine
CID 114109907
2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949
4-(2,2-diethyloxan-4-yl)-1H-1,2,4-triazole-5-thione
CID 83029328
2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
CID 103466943
2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
CID 114716077
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine (CID 114721576) is 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine is CCC1(CC)CC(n2cncc2C2CNCCO2)CCO1.
What is the InChIKey of 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine?
The InChIKey is KTINLAAVIKJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-16(4-2)9-13(5-7-21-16)19-12-18-10-14(19)15-11-17-6-8-20-15/h10,12-13,15,17H,3-9,11H2,1-2H3.
What are the key properties of 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine?
2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114721576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).