1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine

C12H23N3O2 — CID 114283560

IUPAC1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
SMILESCCNC(COCCOC)c1cnc(C)n1C
InChIInChI=1S/C12H23N3O2/c1-5-13-11(9-17-7-6-16-4)12-8-14-10(2)15(12)3/h8,11,13H,5-7,9H2,1-4H3
InChIKeyHLVHOTJZYNBPNC-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.04
Rot. Bonds8

About 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine

1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine (PubChem CID 114283560) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
PubChem CID114283560
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
SMILESCCNC(COCCOC)c1cnc(C)n1C
InChIInChI=1S/C12H23N3O2/c1-5-13-11(9-17-7-6-16-4)12-8-14-10(2)15(12)3/h8,11,13H,5-7,9H2,1-4H3
InChIKeyHLVHOTJZYNBPNC-UHFFFAOYSA-N
XLogP1.04
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032819
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
N-ethyl-2-methoxy-1-(5-methylpyrazin-2-yl)ethanamine
CID 105165697
N-ethyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155925
2-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105165203
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
CID 63976814
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
2-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]propanoic acid
CID 104565225
N-ethyl-1-(2-methoxyethoxy)-3-pyridin-2-ylpropan-2-amine
CID 114032870
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine (CID 114283560) is 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine is CCNC(COCCOC)c1cnc(C)n1C.
What is the InChIKey of 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine?
The InChIKey is HLVHOTJZYNBPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-13-11(9-17-7-6-16-4)12-8-14-10(2)15(12)3/h8,11,13H,5-7,9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine?
1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 114283560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).