1-(1H-imidazol-2-yl)ethanamine;hydrochloride

C5H10ClN3 — CID 86811802

IUPAC1-(1H-imidazol-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1ncc[nH]1.Cl
InChIInChI=1S/C5H9N3.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3,(H,7,8);1H
InChIKeyYQKSNVGIELRMPI-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.85
Rot. Bonds1

About 1-(1H-imidazol-2-yl)ethanamine;hydrochloride

1-(1H-imidazol-2-yl)ethanamine;hydrochloride (PubChem CID 86811802) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)ethanamine;hydrochloride
PubChem CID86811802
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name1-(1H-imidazol-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1ncc[nH]1.Cl
InChIInChI=1S/C5H9N3.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3,(H,7,8);1H
InChIKeyYQKSNVGIELRMPI-UHFFFAOYSA-N
XLogP0.85
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1H-imidazol-2-yl)ethanamine;hydrochloride (CID 86811802) is 1-(1H-imidazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-2-yl)ethanamine;hydrochloride is CC(N)c1ncc[nH]1.Cl.
What is the InChIKey of 1-(1H-imidazol-2-yl)ethanamine;hydrochloride?
The InChIKey is YQKSNVGIELRMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3,(H,7,8);1H.
What are the key properties of 1-(1H-imidazol-2-yl)ethanamine;hydrochloride?
1-(1H-imidazol-2-yl)ethanamine;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 86811802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).