1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine

C12H24AlNO — CID 140508998

IUPAC1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine
SMILESCC[Al](CC)OC1CCCCC1/C=N/C
InChIInChI=1S/C8H14NO.2C2H5.Al/c1-9-6-7-4-2-3-5-8(7)10;2*1-2;/h6-8H,2-5H2,1H3;2*1H2,2H3;/q-1;;;+1/b9-6+;;;
InChIKeyCKWHFQCAELIJJI-HCRDSFAKSA-N
MW225.31 g/mol
LogP3.29
Rot. Bonds5

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

1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine (PubChem CID 140508998) has the molecular formula C12H24AlNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine
PubChem CID140508998
Molecular FormulaC12H24AlNO
Molecular Weight225.31 g/mol
Exact Mass225.17
IUPAC Name1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine
SMILESCC[Al](CC)OC1CCCCC1/C=N/C
InChIInChI=1S/C8H14NO.2C2H5.Al/c1-9-6-7-4-2-3-5-8(7)10;2*1-2;/h6-8H,2-5H2,1H3;2*1H2,2H3;/q-1;;;+1/b9-6+;;;
InChIKeyCKWHFQCAELIJJI-HCRDSFAKSA-N
XLogP3.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Magnesium;2-(methyliminomethyl)cyclohexan-1-olate;chloride
CID 140508995
cyclohexane;1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine
CID 143424579

Frequently Asked Questions

What is the IUPAC name of 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine?
The IUPAC name of 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine (CID 140508998) is 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine.
What is the SMILES notation for 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine?
The canonical SMILES for 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine is CC[Al](CC)OC1CCCCC1/C=N/C.
What is the InChIKey of 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine?
The InChIKey is CKWHFQCAELIJJI-HCRDSFAKSA-N. The full InChI is InChI=1S/C8H14NO.2C2H5.Al/c1-9-6-7-4-2-3-5-8(7)10;2*1-2;/h6-8H,2-5H2,1H3;2*1H2,2H3;/q-1;;;+1/b9-6+;;;.
What are the key properties of 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine?
1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine has a molecular weight of 225.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethylalumanyloxycyclohexyl)-N-methylmethanimine is sourced from PubChem (CID 140508998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).