2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine

C13H21N3O — CID 114722523

IUPAC2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine
SMILESCC1CCC(n2cncc2C2CNCCO2)C1
InChIInChI=1S/C13H21N3O/c1-10-2-3-11(6-10)16-9-15-7-12(16)13-8-14-4-5-17-13/h7,9-11,13-14H,2-6,8H2,1H3
InChIKeyNEQHBZZZMGHHPB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds2

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

2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine (PubChem CID 114722523) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine
PubChem CID114722523
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine
SMILESCC1CCC(n2cncc2C2CNCCO2)C1
InChIInChI=1S/C13H21N3O/c1-10-2-3-11(6-10)16-9-15-7-12(16)13-8-14-4-5-17-13/h7,9-11,13-14H,2-6,8H2,1H3
InChIKeyNEQHBZZZMGHHPB-UHFFFAOYSA-N
XLogP1.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-dimethyloxan-4-yl)imidazol-4-yl]morpholine
CID 114721565
2-[3-(2,2-diethyloxan-4-yl)imidazol-4-yl]morpholine
CID 114721576
2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]morpholine
CID 114718728
2-[3-(3-methylbutan-2-yl)imidazol-4-yl]morpholine
CID 114716077
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268
2-(3-butan-2-ylimidazol-4-yl)morpholine
CID 114717185
2-[3-(3-methylpentan-3-yl)imidazol-4-yl]morpholine
CID 106329949
2-(3-heptan-2-ylimidazol-4-yl)morpholine
CID 114719560
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
CID 103466943
2-[3-[1-(4-methylphenyl)ethyl]imidazol-4-yl]morpholine
CID 114719268
2-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]morpholine
CID 114716528

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine (CID 114722523) is 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine is CC1CCC(n2cncc2C2CNCCO2)C1.
What is the InChIKey of 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine?
The InChIKey is NEQHBZZZMGHHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-2-3-11(6-10)16-9-15-7-12(16)13-8-14-4-5-17-13/h7,9-11,13-14H,2-6,8H2,1H3.
What are the key properties of 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine?
2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine has a molecular weight of 235.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylcyclopentyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114722523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).