N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine

C12H23N3O2 — CID 114032819

IUPACN-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
SMILESCCNC(COCCOC)c1nccn1CC
InChIInChI=1S/C12H23N3O2/c1-4-13-11(10-17-9-8-16-3)12-14-6-7-15(12)5-2/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyUDWUNXKBEXFEAV-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds9

About N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine

N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine (PubChem CID 114032819) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
PubChem CID114032819
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine
SMILESCCNC(COCCOC)c1nccn1CC
InChIInChI=1S/C12H23N3O2/c1-4-13-11(10-17-9-8-16-3)12-14-6-7-15(12)5-2/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKeyUDWUNXKBEXFEAV-UHFFFAOYSA-N
XLogP1.22
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.22
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-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
3-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 105149887
[1-(1-ethylimidazol-2-yl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929970
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
CID 63967928
1-(1-ethylimidazol-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105149787
1-(2,3-dimethylimidazol-4-yl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 114283560
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
CID 115622275
[3-ethoxy-1-(1-ethylimidazol-2-yl)propyl]hydrazine
CID 105308547
N-ethyl-1-methoxy-3-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 107506086
1-(1-ethylimidazol-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215345
1-(2-methoxyethoxymethyl)-2-propan-2-ylimidazole
CID 90402630

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine (CID 114032819) is N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine is CCNC(COCCOC)c1nccn1CC.
What is the InChIKey of N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine?
The InChIKey is UDWUNXKBEXFEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-13-11(10-17-9-8-16-3)12-14-6-7-15(12)5-2/h6-7,11,13H,4-5,8-10H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine?
N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylimidazol-2-yl)-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 114032819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).