2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine

C11H19N3O — CID 115026556

IUPAC2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine
SMILESCc1[nH]c(C2(C)CCCO2)nc1CCN
InChIInChI=1S/C11H19N3O/c1-8-9(4-6-12)14-10(13-8)11(2)5-3-7-15-11/h3-7,12H2,1-2H3,(H,13,14)
InChIKeyJDJHNFJCJJBOGX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.24
Rot. Bonds3

About 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine

2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine (PubChem CID 115026556) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine
PubChem CID115026556
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine
SMILESCc1[nH]c(C2(C)CCCO2)nc1CCN
InChIInChI=1S/C11H19N3O/c1-8-9(4-6-12)14-10(13-8)11(2)5-3-7-15-11/h3-7,12H2,1-2H3,(H,13,14)
InChIKeyJDJHNFJCJJBOGX-UHFFFAOYSA-N
XLogP1.24
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine?
The IUPAC name of 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine (CID 115026556) is 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine is Cc1[nH]c(C2(C)CCCO2)nc1CCN.
What is the InChIKey of 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine?
The InChIKey is JDJHNFJCJJBOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-9(4-6-12)14-10(13-8)11(2)5-3-7-15-11/h3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine?
2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(2-methyloxolan-2-yl)-1H-imidazol-4-yl]ethanamine is sourced from PubChem (CID 115026556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).