1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride

C6H13Cl2N3 — CID 138987836

IUPAC1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
SMILESCC(N)c1cn(C)cn1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5(7)6-3-9(2)4-8-6;;/h3-5H,7H2,1-2H3;2*1H
InChIKeyZJJOSGLKFGRGPG-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.28
Rot. Bonds1

About 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride

1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride (PubChem CID 138987836) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
PubChem CID138987836
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
SMILESCC(N)c1cn(C)cn1.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-5(7)6-3-9(2)4-8-6;;/h3-5H,7H2,1-2H3;2*1H
InChIKeyZJJOSGLKFGRGPG-UHFFFAOYSA-N
XLogP1.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride (CID 138987836) is 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride is CC(N)c1cn(C)cn1.Cl.Cl.
What is the InChIKey of 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is ZJJOSGLKFGRGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-5(7)6-3-9(2)4-8-6;;/h3-5H,7H2,1-2H3;2*1H.
What are the key properties of 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride?
1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 138987836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).