tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane

C22H43NSn — CID 14250104

IUPACtributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2)CCC1
InChIInChI=1S/C10H16N.3C4H9.Sn/c1-2-6-10(7-3-1)11-8-4-5-9-11;3*1-3-4-2;/h2,6H,1,3-5,7-9H2;3*1,3-4H2,2H3;
InChIKeyRRGVVJRVAHZFLE-UHFFFAOYSA-N
MW440.30 g/mol
LogP7.37
Rot. Bonds11

About tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane

tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane (PubChem CID 14250104) has the molecular formula C22H43NSn and a molecular weight of 440.30 g/mol. Its IUPAC name is tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane.

Molecular Properties

Compound Nametributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane
PubChem CID14250104
Molecular FormulaC22H43NSn
Molecular Weight440.30 g/mol
Exact Mass441.24
IUPAC Nametributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2)CCC1
InChIInChI=1S/C10H16N.3C4H9.Sn/c1-2-6-10(7-3-1)11-8-4-5-9-11;3*1-3-4-2;/h2,6H,1,3-5,7-9H2;3*1,3-4H2,2H3;
InChIKeyRRGVVJRVAHZFLE-UHFFFAOYSA-N
XLogP7.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.30
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane?
The IUPAC name of tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane (CID 14250104) is tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane.
What is the SMILES notation for tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane?
The canonical SMILES for tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1C=C(N2CCCC2)CCC1.
What is the InChIKey of tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane?
The InChIKey is RRGVVJRVAHZFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.3C4H9.Sn/c1-2-6-10(7-3-1)11-8-4-5-9-11;3*1-3-4-2;/h2,6H,1,3-5,7-9H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane?
tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane has a molecular weight of 440.30 g/mol, XLogP of 7.37, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-pyrrolidin-1-ylcyclohex-2-en-1-yl)stannane is sourced from PubChem (CID 14250104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).