butyl-(4-methyl-2-pyridinyl)-dipentylstannane

C20H37NSn — CID 170630373

IUPACbutyl-(4-methyl-2-pyridinyl)-dipentylstannane
SMILESCCCCC[Sn](CCCC)(CCCCC)c1cc(C)ccn1
InChIInChI=1S/C6H6N.2C5H11.C4H9.Sn/c1-6-2-4-7-5-3-6;2*1-3-5-4-2;1-3-4-2;/h2-4H,1H3;2*1,3-5H2,2H3;1,3-4H2,2H3;
InChIKeyNTISGQOHMMKNEA-UHFFFAOYSA-N
MW410.23 g/mol
LogP6.23
Rot. Bonds12

About butyl-(4-methyl-2-pyridinyl)-dipentylstannane

butyl-(4-methyl-2-pyridinyl)-dipentylstannane (PubChem CID 170630373) has the molecular formula C20H37NSn and a molecular weight of 410.23 g/mol. Its IUPAC name is butyl-(4-methyl-2-pyridinyl)-dipentylstannane.

Molecular Properties

Compound Namebutyl-(4-methyl-2-pyridinyl)-dipentylstannane
PubChem CID170630373
Molecular FormulaC20H37NSn
Molecular Weight410.23 g/mol
Exact Mass411.19
IUPAC Namebutyl-(4-methyl-2-pyridinyl)-dipentylstannane
SMILESCCCCC[Sn](CCCC)(CCCCC)c1cc(C)ccn1
InChIInChI=1S/C6H6N.2C5H11.C4H9.Sn/c1-6-2-4-7-5-3-6;2*1-3-5-4-2;1-3-4-2;/h2-4H,1H3;2*1,3-5H2,2H3;1,3-4H2,2H3;
InChIKeyNTISGQOHMMKNEA-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.23
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-(4-methyl-2-pyridinyl)-dipentylstannane?
The IUPAC name of butyl-(4-methyl-2-pyridinyl)-dipentylstannane (CID 170630373) is butyl-(4-methyl-2-pyridinyl)-dipentylstannane.
What is the SMILES notation for butyl-(4-methyl-2-pyridinyl)-dipentylstannane?
The canonical SMILES for butyl-(4-methyl-2-pyridinyl)-dipentylstannane is CCCCC[Sn](CCCC)(CCCCC)c1cc(C)ccn1.
What is the InChIKey of butyl-(4-methyl-2-pyridinyl)-dipentylstannane?
The InChIKey is NTISGQOHMMKNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.2C5H11.C4H9.Sn/c1-6-2-4-7-5-3-6;2*1-3-5-4-2;1-3-4-2;/h2-4H,1H3;2*1,3-5H2,2H3;1,3-4H2,2H3;.
What are the key properties of butyl-(4-methyl-2-pyridinyl)-dipentylstannane?
butyl-(4-methyl-2-pyridinyl)-dipentylstannane has a molecular weight of 410.23 g/mol, XLogP of 6.23, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(4-methyl-2-pyridinyl)-dipentylstannane is sourced from PubChem (CID 170630373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).