2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine

C9H17N3O — CID 86820595

IUPAC2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine
SMILESCOCCn1c(C)cnc1CCN
InChIInChI=1S/C9H17N3O/c1-8-7-11-9(3-4-10)12(8)5-6-13-2/h7H,3-6,10H2,1-2H3
InChIKeyBHTKTIOELMJKAF-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.34
Rot. Bonds5

About 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine

2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine (PubChem CID 86820595) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine
PubChem CID86820595
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine
SMILESCOCCn1c(C)cnc1CCN
InChIInChI=1S/C9H17N3O/c1-8-7-11-9(3-4-10)12(8)5-6-13-2/h7H,3-6,10H2,1-2H3
InChIKeyBHTKTIOELMJKAF-UHFFFAOYSA-N
XLogP0.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine (CID 86820595) is 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine is COCCn1c(C)cnc1CCN.
What is the InChIKey of 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine?
The InChIKey is BHTKTIOELMJKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8-7-11-9(3-4-10)12(8)5-6-13-2/h7H,3-6,10H2,1-2H3.
What are the key properties of 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine?
2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine has a molecular weight of 183.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethanamine is sourced from PubChem (CID 86820595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).