1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine

C11H20N4O — CID 66118965

IUPAC1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine
SMILESCOCCN1CCC(N)C1c1cncn1C
InChIInChI=1S/C11H20N4O/c1-14-8-13-7-10(14)11-9(12)3-4-15(11)5-6-16-2/h7-9,11H,3-6,12H2,1-2H3
InChIKeyMNIDOLVRPBEXNC-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.14
Rot. Bonds4

About 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine

1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine (PubChem CID 66118965) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine
PubChem CID66118965
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine
SMILESCOCCN1CCC(N)C1c1cncn1C
InChIInChI=1S/C11H20N4O/c1-14-8-13-7-10(14)11-9(12)3-4-15(11)5-6-16-2/h7-9,11H,3-6,12H2,1-2H3
InChIKeyMNIDOLVRPBEXNC-UHFFFAOYSA-N
XLogP0.14
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 66163942
1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine
CID 66163591
(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 150837589
2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine
CID 66163186
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 115350631
2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
CID 79584518
(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 95359042
[1-ethyl-2-(3-methylimidazol-4-yl)azepan-3-yl]methanamine
CID 66116859
2-(3-methylimidazol-4-yl)cyclopropan-1-amine
CID 66119241
2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 128977886
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 66117272
4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 66118126

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine (CID 66118965) is 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine is COCCN1CCC(N)C1c1cncn1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine?
The InChIKey is MNIDOLVRPBEXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-8-13-7-10(14)11-9(12)3-4-15(11)5-6-16-2/h7-9,11H,3-6,12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine?
1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine has a molecular weight of 224.31 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 66118965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).