alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride

C6H16AlClN2 — CID 174780208

IUPACalumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
SMILESCCN1C=CN(C)C1.Cl.[AlH3]
InChIInChI=1S/C6H12N2.Al.ClH.3H/c1-3-8-5-4-7(2)6-8;;;;;/h4-5H,3,6H2,1-2H3;;1H;;;
InChIKeyWVFFUZJYMLHGLV-UHFFFAOYSA-N
MW178.64 g/mol
LogP-0.08
Rot. Bonds1

About alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride

alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride (PubChem CID 174780208) has the molecular formula C6H16AlClN2 and a molecular weight of 178.64 g/mol. Its IUPAC name is alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Namealumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
PubChem CID174780208
Molecular FormulaC6H16AlClN2
Molecular Weight178.64 g/mol
Exact Mass178.08
IUPAC Namealumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
SMILESCCN1C=CN(C)C1.Cl.[AlH3]
InChIInChI=1S/C6H12N2.Al.ClH.3H/c1-3-8-5-4-7(2)6-8;;;;;/h4-5H,3,6H2,1-2H3;;1H;;;
InChIKeyWVFFUZJYMLHGLV-UHFFFAOYSA-N
XLogP-0.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride?
The IUPAC name of alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride (CID 174780208) is alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride.
What is the SMILES notation for alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride?
The canonical SMILES for alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride is CCN1C=CN(C)C1.Cl.[AlH3].
What is the InChIKey of alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride?
The InChIKey is WVFFUZJYMLHGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.Al.ClH.3H/c1-3-8-5-4-7(2)6-8;;;;;/h4-5H,3,6H2,1-2H3;;1H;;;.
What are the key properties of alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride?
alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride has a molecular weight of 178.64 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 174780208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).