tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane

C21H43NSn — CID 23532914

IUPACtributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H16N.3C4H9.Sn/c1-9(2,3)10-7-5-4-6-8-10;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyCLELMPOMKBCKHU-UHFFFAOYSA-N
MW428.29 g/mol
LogP6.81
Rot. Bonds10

About tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane

tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane (PubChem CID 23532914) has the molecular formula C21H43NSn and a molecular weight of 428.29 g/mol. Its IUPAC name is tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane.

Molecular Properties

Compound Nametributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane
PubChem CID23532914
Molecular FormulaC21H43NSn
Molecular Weight428.29 g/mol
Exact Mass429.24
IUPAC Nametributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1=CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H16N.3C4H9.Sn/c1-9(2,3)10-7-5-4-6-8-10;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyCLELMPOMKBCKHU-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.29
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane?
The IUPAC name of tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane (CID 23532914) is tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane.
What is the SMILES notation for tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane?
The canonical SMILES for tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1=CCN(C(C)(C)C)CC1.
What is the InChIKey of tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane?
The InChIKey is CLELMPOMKBCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N.3C4H9.Sn/c1-9(2,3)10-7-5-4-6-8-10;3*1-3-4-2;/h5H,6-8H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane?
tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane has a molecular weight of 428.29 g/mol, XLogP of 6.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(1-tert-butyl-3,6-dihydro-2H-pyridin-4-yl)stannane is sourced from PubChem (CID 23532914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).