2-(1H-imidazol-5-yloxy)ethanamine

C5H9N3O — CID 57215348

IUPAC2-(1H-imidazol-5-yloxy)ethanamine
SMILESNCCOc1cnc[nH]1
InChIInChI=1S/C5H9N3O/c6-1-2-9-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKeyKQUUALCZZKOLEK-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.25
Rot. Bonds3

About 2-(1H-imidazol-5-yloxy)ethanamine

2-(1H-imidazol-5-yloxy)ethanamine (PubChem CID 57215348) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yloxy)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yloxy)ethanamine
PubChem CID57215348
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(1H-imidazol-5-yloxy)ethanamine
SMILESNCCOc1cnc[nH]1
InChIInChI=1S/C5H9N3O/c6-1-2-9-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKeyKQUUALCZZKOLEK-UHFFFAOYSA-N
XLogP-0.25
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-imidazol-5-yloxy)butan-1-ol
CID 57247694
ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
CID 67432919
5-(difluoromethoxy)-1H-imidazole
CID 118818229
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
5-methoxy-1H-imidazole;tribromogold
CID 175474881
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
CID 25239956
[6-(1H-imidazol-5-yloxymethyl)piperazin-2-yl]methanol
CID 10192667
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
5-(2-aminoethoxy)pyrimidin-2-amine
CID 117229813
5-(2-aminoethoxy)pyrimidin-4-amine
CID 151831045
2-(5-bromopyrimidin-2-yl)oxyethanamine
CID 63871925

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yloxy)ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yloxy)ethanamine (CID 57215348) is 2-(1H-imidazol-5-yloxy)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yloxy)ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yloxy)ethanamine is NCCOc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yloxy)ethanamine?
The InChIKey is KQUUALCZZKOLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-1-2-9-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8).
What are the key properties of 2-(1H-imidazol-5-yloxy)ethanamine?
2-(1H-imidazol-5-yloxy)ethanamine has a molecular weight of 127.15 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yloxy)ethanamine is sourced from PubChem (CID 57215348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).