cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine

C18H36AlNO — CID 143424579

IUPACcyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine
SMILESC1CCCCC1.CC[Al](CC)OC1CCCCC1/C=N/C
InChIInChI=1S/C8H14NO.C6H12.2C2H5.Al/c1-9-6-7-4-2-3-5-8(7)10;1-2-4-6-5-3-1;2*1-2;/h6-8H,2-5H2,1H3;1-6H2;2*1H2,2H3;/q-1;;;;+1/b9-6+;;;;
InChIKeyQJFXHNZRCRFXJX-MPMAQEBPSA-N
MW309.47 g/mol
LogP5.63
Rot. Bonds5

About cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine

cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine (PubChem CID 143424579) has the molecular formula C18H36AlNO and a molecular weight of 309.47 g/mol. Its IUPAC name is cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine.

Molecular Properties

Compound Namecyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine
PubChem CID143424579
Molecular FormulaC18H36AlNO
Molecular Weight309.47 g/mol
Exact Mass309.26
IUPAC Namecyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine
SMILESC1CCCCC1.CC[Al](CC)OC1CCCCC1/C=N/C
InChIInChI=1S/C8H14NO.C6H12.2C2H5.Al/c1-9-6-7-4-2-3-5-8(7)10;1-2-4-6-5-3-1;2*1-2;/h6-8H,2-5H2,1H3;1-6H2;2*1H2,2H3;/q-1;;;;+1/b9-6+;;;;
InChIKeyQJFXHNZRCRFXJX-MPMAQEBPSA-N
XLogP5.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.47
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine?
The IUPAC name of cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine (CID 143424579) is cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine.
What is the SMILES notation for cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine?
The canonical SMILES for cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine is C1CCCCC1.CC[Al](CC)OC1CCCCC1/C=N/C.
What is the InChIKey of cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine?
The InChIKey is QJFXHNZRCRFXJX-MPMAQEBPSA-N. The full InChI is InChI=1S/C8H14NO.C6H12.2C2H5.Al/c1-9-6-7-4-2-3-5-8(7)10;1-2-4-6-5-3-1;2*1-2;/h6-8H,2-5H2,1H3;1-6H2;2*1H2,2H3;/q-1;;;;+1/b9-6+;;;;.
What are the key properties of cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine?
cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine has a molecular weight of 309.47 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine is sourced from PubChem (CID 143424579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).