alumane;2-hexyl-1-methylimidazole;tetrahydrochloride

C10H25AlCl4N2 — CID 174887731

IUPACalumane;2-hexyl-1-methylimidazole;tetrahydrochloride
SMILESCCCCCCc1nccn1C.Cl.Cl.Cl.Cl.[AlH3]
InChIInChI=1S/C10H18N2.Al.4ClH.3H/c1-3-4-5-6-7-10-11-8-9-12(10)2;;;;;;;;/h8-9H,3-7H2,1-2H3;;4*1H;;;
InChIKeyGKBYGJHQZFFNOC-UHFFFAOYSA-N
MW342.12 g/mol
LogP3.05
Rot. Bonds5

About alumane;2-hexyl-1-methylimidazole;tetrahydrochloride

alumane;2-hexyl-1-methylimidazole;tetrahydrochloride (PubChem CID 174887731) has the molecular formula C10H25AlCl4N2 and a molecular weight of 342.12 g/mol. Its IUPAC name is alumane;2-hexyl-1-methylimidazole;tetrahydrochloride.

Molecular Properties

Compound Namealumane;2-hexyl-1-methylimidazole;tetrahydrochloride
PubChem CID174887731
Molecular FormulaC10H25AlCl4N2
Molecular Weight342.12 g/mol
Exact Mass340.06
IUPAC Namealumane;2-hexyl-1-methylimidazole;tetrahydrochloride
SMILESCCCCCCc1nccn1C.Cl.Cl.Cl.Cl.[AlH3]
InChIInChI=1S/C10H18N2.Al.4ClH.3H/c1-3-4-5-6-7-10-11-8-9-12(10)2;;;;;;;;/h8-9H,3-7H2,1-2H3;;4*1H;;;
InChIKeyGKBYGJHQZFFNOC-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
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2-butyl-1-methylimidazole;fluoroform
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CID 69388452
2-dodecyl-1-methylimidazole;prop-2-enoic acid
CID 175068688
azane;1-methyl-2-propylimidazole
CID 174525892
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
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CID 141436995

Frequently Asked Questions

What is the IUPAC name of alumane;2-hexyl-1-methylimidazole;tetrahydrochloride?
The IUPAC name of alumane;2-hexyl-1-methylimidazole;tetrahydrochloride (CID 174887731) is alumane;2-hexyl-1-methylimidazole;tetrahydrochloride.
What is the SMILES notation for alumane;2-hexyl-1-methylimidazole;tetrahydrochloride?
The canonical SMILES for alumane;2-hexyl-1-methylimidazole;tetrahydrochloride is CCCCCCc1nccn1C.Cl.Cl.Cl.Cl.[AlH3].
What is the InChIKey of alumane;2-hexyl-1-methylimidazole;tetrahydrochloride?
The InChIKey is GKBYGJHQZFFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.Al.4ClH.3H/c1-3-4-5-6-7-10-11-8-9-12(10)2;;;;;;;;/h8-9H,3-7H2,1-2H3;;4*1H;;;.
What are the key properties of alumane;2-hexyl-1-methylimidazole;tetrahydrochloride?
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride has a molecular weight of 342.12 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-hexyl-1-methylimidazole;tetrahydrochloride is sourced from PubChem (CID 174887731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).