2-(3-methylimidazol-4-yl)ethanamine;hydrochloride

C6H12ClN3 — CID 45157688

IUPAC2-(3-methylimidazol-4-yl)ethanamine;hydrochloride
SMILESCl.Cn1cncc1CCN
InChIInChI=1S/C6H11N3.ClH/c1-9-5-8-4-6(9)2-3-7;/h4-5H,2-3,7H2,1H3;1H
InChIKeyPCUZHFJZJHNGFH-UHFFFAOYSA-N
MW161.64 g/mol
LogP0.34
Rot. Bonds2

About 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride

2-(3-methylimidazol-4-yl)ethanamine;hydrochloride (PubChem CID 45157688) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)ethanamine;hydrochloride
PubChem CID45157688
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name2-(3-methylimidazol-4-yl)ethanamine;hydrochloride
SMILESCl.Cn1cncc1CCN
InChIInChI=1S/C6H11N3.ClH/c1-9-5-8-4-6(9)2-3-7;/h4-5H,2-3,7H2,1H3;1H
InChIKeyPCUZHFJZJHNGFH-UHFFFAOYSA-N
XLogP0.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride (CID 45157688) is 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride is Cl.Cn1cncc1CCN.
What is the InChIKey of 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride?
The InChIKey is PCUZHFJZJHNGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-9-5-8-4-6(9)2-3-7;/h4-5H,2-3,7H2,1H3;1H.
What are the key properties of 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride?
2-(3-methylimidazol-4-yl)ethanamine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 45157688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).