alumane;1-ethyl-2-methylimidazole;dihydrochloride

C6H15AlCl2N2 — CID 173131459

IUPACalumane;1-ethyl-2-methylimidazole;dihydrochloride
SMILESCCn1ccnc1C.Cl.Cl.[AlH3]
InChIInChI=1S/C6H10N2.Al.2ClH.3H/c1-3-8-5-4-7-6(8)2;;;;;;/h4-5H,3H2,1-2H3;;2*1H;;;
InChIKeyKYBWORKWYVWMSF-UHFFFAOYSA-N
MW213.09 g/mol
LogP0.87
Rot. Bonds1

About alumane;1-ethyl-2-methylimidazole;dihydrochloride

alumane;1-ethyl-2-methylimidazole;dihydrochloride (PubChem CID 173131459) has the molecular formula C6H15AlCl2N2 and a molecular weight of 213.09 g/mol. Its IUPAC name is alumane;1-ethyl-2-methylimidazole;dihydrochloride.

Molecular Properties

Compound Namealumane;1-ethyl-2-methylimidazole;dihydrochloride
PubChem CID173131459
Molecular FormulaC6H15AlCl2N2
Molecular Weight213.09 g/mol
Exact Mass212.04
IUPAC Namealumane;1-ethyl-2-methylimidazole;dihydrochloride
SMILESCCn1ccnc1C.Cl.Cl.[AlH3]
InChIInChI=1S/C6H10N2.Al.2ClH.3H/c1-3-8-5-4-7-6(8)2;;;;;;/h4-5H,3H2,1-2H3;;2*1H;;;
InChIKeyKYBWORKWYVWMSF-UHFFFAOYSA-N
XLogP0.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.09
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-methylimidazole;sulfuric acid
CID 174953824
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-ethenyl-2-methylimidazole;1-ethyl-2-methylimidazole
CID 159895967
1-ethyl-2-methylimidazole;2,2,2-trifluoroacetic acid
CID 171928929
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
1-(2,2-difluoro-2-iodoethyl)-2-methylimidazole
CID 170281911
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
1-(2-fluorobutyl)-2-methylimidazole
CID 127000116
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-(3,3-difluorobutyl)-2-methylimidazole
CID 126793824
1-ethyl-3-methylpyrazin-2-one
CID 90291055
potassium (1-ethylimidazol-2-yl)-trifluoroboranuide
CID 63974116

Frequently Asked Questions

What is the IUPAC name of alumane;1-ethyl-2-methylimidazole;dihydrochloride?
The IUPAC name of alumane;1-ethyl-2-methylimidazole;dihydrochloride (CID 173131459) is alumane;1-ethyl-2-methylimidazole;dihydrochloride.
What is the SMILES notation for alumane;1-ethyl-2-methylimidazole;dihydrochloride?
The canonical SMILES for alumane;1-ethyl-2-methylimidazole;dihydrochloride is CCn1ccnc1C.Cl.Cl.[AlH3].
What is the InChIKey of alumane;1-ethyl-2-methylimidazole;dihydrochloride?
The InChIKey is KYBWORKWYVWMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.Al.2ClH.3H/c1-3-8-5-4-7-6(8)2;;;;;;/h4-5H,3H2,1-2H3;;2*1H;;;.
What are the key properties of alumane;1-ethyl-2-methylimidazole;dihydrochloride?
alumane;1-ethyl-2-methylimidazole;dihydrochloride has a molecular weight of 213.09 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1-ethyl-2-methylimidazole;dihydrochloride is sourced from PubChem (CID 173131459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).