2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride

C6H12ClN3 — CID 70700960

IUPAC2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride
SMILESCc1ncc(CCN)[nH]1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-5-8-4-6(9-5)2-3-7;/h4H,2-3,7H2,1H3,(H,8,9);1H
InChIKeyMABZVMGPNMEUCF-UHFFFAOYSA-N
MW161.64 g/mol
LogP0.64
Rot. Bonds2

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

2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride (PubChem CID 70700960) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride
PubChem CID70700960
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride
SMILESCc1ncc(CCN)[nH]1.Cl
InChIInChI=1S/C6H11N3.ClH/c1-5-8-4-6(9-5)2-3-7;/h4H,2-3,7H2,1H3,(H,8,9);1H
InChIKeyMABZVMGPNMEUCF-UHFFFAOYSA-N
XLogP0.64
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride (CID 70700960) is 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride is Cc1ncc(CCN)[nH]1.Cl.
What is the InChIKey of 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride?
The InChIKey is MABZVMGPNMEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-5-8-4-6(9-5)2-3-7;/h4H,2-3,7H2,1H3,(H,8,9);1H.
What are the key properties of 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride?
2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-imidazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 70700960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).