1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane

C24H50AlNO — CID 139905093

IUPAC1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane
SMILESCCCCCCCC[Al](CCCCCCCC)OC(C)C1CCN(C)CC1
InChIInChI=1S/C8H16NO.2C8H17.Al/c1-7(10)8-3-5-9(2)6-4-8;2*1-3-5-7-8-6-4-2;/h7-8H,3-6H2,1-2H3;2*1,3-8H2,2H3;/q-1;;;+1
InChIKeyBYOLPGMWGJDSRN-UHFFFAOYSA-N
MW395.65 g/mol
LogP7.45
Rot. Bonds17

About 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane

1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane (PubChem CID 139905093) has the molecular formula C24H50AlNO and a molecular weight of 395.65 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane
PubChem CID139905093
Molecular FormulaC24H50AlNO
Molecular Weight395.65 g/mol
Exact Mass395.37
IUPAC Name1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane
SMILESCCCCCCCC[Al](CCCCCCCC)OC(C)C1CCN(C)CC1
InChIInChI=1S/C8H16NO.2C8H17.Al/c1-7(10)8-3-5-9(2)6-4-8;2*1-3-5-7-8-6-4-2;/h7-8H,3-6H2,1-2H3;2*1,3-8H2,2H3;/q-1;;;+1
InChIKeyBYOLPGMWGJDSRN-UHFFFAOYSA-N
XLogP7.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.65
LogP ≤ 57.45
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

1-(1-methylpyrrolidin-3-yl)ethoxy-dioctylalumane
CID 139905070
1-(1-ethylpyrrolidin-3-yl)ethoxy-dioctylalumane
CID 139905147
dihexyl-[1-(oxan-4-yl)ethoxy]alumane
CID 139905185
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
1,4-dimethylpiperidine;ethane;heptane
CID 156708934
1-methyl-3-tridecan-7-ylpyrrolidine
CID 129157230
1-methyl-3-tetradecan-7-ylpyrrolidine
CID 166688622
1,1-bis(1-methylpiperidin-4-yl)tetradecan-2-amine
CID 57201068
decyl-di(propan-2-yloxy)alumane
CID 141398006
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-methyl-N-nonan-2-ylpiperidin-4-amine
CID 43373312
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane?
The IUPAC name of 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane (CID 139905093) is 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane is CCCCCCCC[Al](CCCCCCCC)OC(C)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane?
The InChIKey is BYOLPGMWGJDSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO.2C8H17.Al/c1-7(10)8-3-5-9(2)6-4-8;2*1-3-5-7-8-6-4-2;/h7-8H,3-6H2,1-2H3;2*1,3-8H2,2H3;/q-1;;;+1.
What are the key properties of 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane?
1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane has a molecular weight of 395.65 g/mol, XLogP of 7.45, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane is sourced from PubChem (CID 139905093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).