tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane

C21H43NSn — CID 11026338

IUPACtributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane
SMILESCCCC[Sn](/C=C1\CCCNC1C(C)C)(CCCC)CCCC
InChIInChI=1S/C9H16N.3C4H9.Sn/c1-7(2)9-8(3)5-4-6-10-9;3*1-3-4-2;/h3,7,9-10H,4-6H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyNWNQEGGHJGLUOF-UHFFFAOYSA-N
MW428.29 g/mol
LogP6.71
Rot. Bonds11

About tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane

tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane (PubChem CID 11026338) has the molecular formula C21H43NSn and a molecular weight of 428.29 g/mol. Its IUPAC name is tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane
PubChem CID11026338
Molecular FormulaC21H43NSn
Molecular Weight428.29 g/mol
Exact Mass429.24
IUPAC Nametributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane
SMILESCCCC[Sn](/C=C1\CCCNC1C(C)C)(CCCC)CCCC
InChIInChI=1S/C9H16N.3C4H9.Sn/c1-7(2)9-8(3)5-4-6-10-9;3*1-3-4-2;/h3,7,9-10H,4-6H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyNWNQEGGHJGLUOF-UHFFFAOYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.29
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane?
The IUPAC name of tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane (CID 11026338) is tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane.
What is the SMILES notation for tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane?
The canonical SMILES for tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane is CCCC[Sn](/C=C1\CCCNC1C(C)C)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane?
The InChIKey is NWNQEGGHJGLUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N.3C4H9.Sn/c1-7(2)9-8(3)5-4-6-10-9;3*1-3-4-2;/h3,7,9-10H,4-6H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane?
tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane has a molecular weight of 428.29 g/mol, XLogP of 6.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-(2-propan-2-ylpiperidin-3-ylidene)methyl]stannane is sourced from PubChem (CID 11026338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).