2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine

C12H21N3O2 — CID 114722434

IUPAC2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
SMILESCC(C)OCCn1cncc1C1CNCCO1
InChIInChI=1S/C12H21N3O2/c1-10(2)16-6-4-15-9-14-7-11(15)12-8-13-3-5-17-12/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyMPSYVGUCZZNLDV-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.97
Rot. Bonds5

About 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine

2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine (PubChem CID 114722434) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
PubChem CID114722434
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
SMILESCC(C)OCCn1cncc1C1CNCCO1
InChIInChI=1S/C12H21N3O2/c1-10(2)16-6-4-15-9-14-7-11(15)12-8-13-3-5-17-12/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyMPSYVGUCZZNLDV-UHFFFAOYSA-N
XLogP0.97
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-(3-but-3-ynylimidazol-4-yl)morpholine
CID 114720452
2-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]morpholine
CID 114718670
2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077
N-tert-butyl-3-(5-morpholin-2-ylimidazol-1-yl)propanamide
CID 114721907
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
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-chlorophenyl)methyl]imidazol-4-yl]morpholine
CID 114716555
2-[3-[(6-methoxy-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114720280
2-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]morpholine
CID 114717817
2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine
CID 114717096

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine (CID 114722434) is 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine is CC(C)OCCn1cncc1C1CNCCO1.
What is the InChIKey of 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine?
The InChIKey is MPSYVGUCZZNLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)16-6-4-15-9-14-7-11(15)12-8-13-3-5-17-12/h7,9-10,12-13H,3-6,8H2,1-2H3.
What are the key properties of 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine?
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine has a molecular weight of 239.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114722434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).