ethoxyethane;2-(1H-imidazol-5-yl)ethanamine

C9H19N3O — CID 66686152

IUPACethoxyethane;2-(1H-imidazol-5-yl)ethanamine
SMILESCCOCC.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.C4H10O/c6-2-1-5-3-7-4-8-5;1-3-5-4-2/h3-4H,1-2,6H2,(H,7,8);3-4H2,1-2H3
InChIKeyUHXLVWKBBLMISL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.95
Rot. Bonds4

About ethoxyethane;2-(1H-imidazol-5-yl)ethanamine

ethoxyethane;2-(1H-imidazol-5-yl)ethanamine (PubChem CID 66686152) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is ethoxyethane;2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Nameethoxyethane;2-(1H-imidazol-5-yl)ethanamine
PubChem CID66686152
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Nameethoxyethane;2-(1H-imidazol-5-yl)ethanamine
SMILESCCOCC.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.C4H10O/c6-2-1-5-3-7-4-8-5;1-3-5-4-2/h3-4H,1-2,6H2,(H,7,8);3-4H2,1-2H3
InChIKeyUHXLVWKBBLMISL-UHFFFAOYSA-N
XLogP0.95
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of ethoxyethane;2-(1H-imidazol-5-yl)ethanamine (CID 66686152) is ethoxyethane;2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for ethoxyethane;2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for ethoxyethane;2-(1H-imidazol-5-yl)ethanamine is CCOCC.NCCc1cnc[nH]1.
What is the InChIKey of ethoxyethane;2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is UHXLVWKBBLMISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.C4H10O/c6-2-1-5-3-7-4-8-5;1-3-5-4-2/h3-4H,1-2,6H2,(H,7,8);3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-(1H-imidazol-5-yl)ethanamine?
ethoxyethane;2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 66686152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).