2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine

C8H15N3O — CID 90853863

IUPAC2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine
SMILESCCOCc1nc(N)c(C)n1C
InChIInChI=1S/C8H15N3O/c1-4-12-5-7-10-8(9)6(2)11(7)3/h4-5,9H2,1-3H3
InChIKeyDDDJXUWOLMXDJL-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.85
Rot. Bonds3

About 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine

2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine (PubChem CID 90853863) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine
PubChem CID90853863
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine
SMILESCCOCc1nc(N)c(C)n1C
InChIInChI=1S/C8H15N3O/c1-4-12-5-7-10-8(9)6(2)11(7)3/h4-5,9H2,1-3H3
InChIKeyDDDJXUWOLMXDJL-UHFFFAOYSA-N
XLogP0.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine (CID 90853863) is 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine is CCOCc1nc(N)c(C)n1C.
What is the InChIKey of 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine?
The InChIKey is DDDJXUWOLMXDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-12-5-7-10-8(9)6(2)11(7)3/h4-5,9H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine?
2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine has a molecular weight of 169.23 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1,5-dimethylimidazol-4-amine is sourced from PubChem (CID 90853863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).