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

C11H19N3O — CID 91911584

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine
SMILESCc1cnc(C2CCOCC2)n1CCN
InChIInChI=1S/C11H19N3O/c1-9-8-13-11(14(9)5-4-12)10-2-6-15-7-3-10/h8,10H,2-7,12H2,1H3
InChIKeyIGEVZBYHMIWDCJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.04
Rot. Bonds3

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

2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine (PubChem CID 91911584) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine
PubChem CID91911584
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine
SMILESCc1cnc(C2CCOCC2)n1CCN
InChIInChI=1S/C11H19N3O/c1-9-8-13-11(14(9)5-4-12)10-2-6-15-7-3-10/h8,10H,2-7,12H2,1H3
InChIKeyIGEVZBYHMIWDCJ-UHFFFAOYSA-N
XLogP1.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine (CID 91911584) is 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine is Cc1cnc(C2CCOCC2)n1CCN.
What is the InChIKey of 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine?
The InChIKey is IGEVZBYHMIWDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-8-13-11(14(9)5-4-12)10-2-6-15-7-3-10/h8,10H,2-7,12H2,1H3.
What are the key properties of 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine?
2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(oxan-4-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 91911584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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