bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane

C18H36AlN — CID 86050289

IUPACbis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane
SMILESCC(C)C[Al](CC(C)C)C1CCCC1N1CCCCC1
InChIInChI=1S/C10H18N.2C4H9.Al/c1-4-8-11(9-5-1)10-6-2-3-7-10;2*1-4(2)3;/h6,10H,1-5,7-9H2;2*4H,1H2,2-3H3;
InChIKeyUJDMGHQEGUFSBU-UHFFFAOYSA-N
MW293.48 g/mol
LogP5.20
Rot. Bonds6

About bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane

bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane (PubChem CID 86050289) has the molecular formula C18H36AlN and a molecular weight of 293.48 g/mol. Its IUPAC name is bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane.

Molecular Properties

Compound Namebis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane
PubChem CID86050289
Molecular FormulaC18H36AlN
Molecular Weight293.48 g/mol
Exact Mass293.27
IUPAC Namebis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane
SMILESCC(C)C[Al](CC(C)C)C1CCCC1N1CCCCC1
InChIInChI=1S/C10H18N.2C4H9.Al/c1-4-8-11(9-5-1)10-6-2-3-7-10;2*1-4(2)3;/h6,10H,1-5,7-9H2;2*4H,1H2,2-3H3;
InChIKeyUJDMGHQEGUFSBU-UHFFFAOYSA-N
XLogP5.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane?
The IUPAC name of bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane (CID 86050289) is bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane.
What is the SMILES notation for bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane?
The canonical SMILES for bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane is CC(C)C[Al](CC(C)C)C1CCCC1N1CCCCC1.
What is the InChIKey of bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane?
The InChIKey is UJDMGHQEGUFSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N.2C4H9.Al/c1-4-8-11(9-5-1)10-6-2-3-7-10;2*1-4(2)3;/h6,10H,1-5,7-9H2;2*4H,1H2,2-3H3;.
What are the key properties of bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane?
bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane has a molecular weight of 293.48 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane is sourced from PubChem (CID 86050289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).