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

C6H13Cl2N3 — CID 162341661

IUPAC(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
SMILESC[C@@H](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/t5-;;/m1../s1
InChIKeyZJJOSGLKFGRGPG-ZJIMSODOSA-N
MW198.10 g/mol
LogP1.28
Rot. Bonds1

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

(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride (PubChem CID 162341661) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
PubChem CID162341661
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
SMILESC[C@@H](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/t5-;;/m1../s1
InChIKeyZJJOSGLKFGRGPG-ZJIMSODOSA-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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Related Compounds

(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
1-(1-methylimidazol-4-yl)ethylhydrazine
CID 107978855
3-methyl-1-(1-methylimidazol-4-yl)but-2-en-1-amine
CID 107976194
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 130509742
cyclopentyl-(1-methylimidazol-4-yl)methanamine
CID 107973442
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
(1R)-3,3,3-trifluoro-1-(1-methylimidazol-4-yl)propan-1-amine
CID 130598930
1-(1-methylimidazol-4-yl)but-3-yn-1-amine
CID 107973346
1-[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 130598698
2-amino-3-hydroxy-3-(1-methylimidazol-4-yl)propanoic acid
CID 130598586

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride (CID 162341661) is (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride is C[C@@H](N)c1cn(C)cn1.Cl.Cl.
What is the InChIKey of (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is ZJJOSGLKFGRGPG-ZJIMSODOSA-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/t5-;;/m1../s1.
What are the key properties of (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride?
(1R)-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 (1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 162341661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).