N-benzyl-N-(tributylstannylmethyl)butan-1-amine

C24H45NSn — CID 10766617

IUPACN-benzyl-N-(tributylstannylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccccc1)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H18N.3C4H9.Sn/c1-3-4-10-13(2)11-12-8-6-5-7-9-12;3*1-3-4-2;/h5-9H,2-4,10-11H2,1H3;3*1,3-4H2,2H3;
InChIKeyCPUABIGKYYGFOA-UHFFFAOYSA-N
MW466.34 g/mol
LogP7.68
Rot. Bonds16

About N-benzyl-N-(tributylstannylmethyl)butan-1-amine

N-benzyl-N-(tributylstannylmethyl)butan-1-amine (PubChem CID 10766617) has the molecular formula C24H45NSn and a molecular weight of 466.34 g/mol. Its IUPAC name is N-benzyl-N-(tributylstannylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-(tributylstannylmethyl)butan-1-amine
PubChem CID10766617
Molecular FormulaC24H45NSn
Molecular Weight466.34 g/mol
Exact Mass467.26
IUPAC NameN-benzyl-N-(tributylstannylmethyl)butan-1-amine
SMILESCCCCN(Cc1ccccc1)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H18N.3C4H9.Sn/c1-3-4-10-13(2)11-12-8-6-5-7-9-12;3*1-3-4-2;/h5-9H,2-4,10-11H2,1H3;3*1,3-4H2,2H3;
InChIKeyCPUABIGKYYGFOA-UHFFFAOYSA-N
XLogP7.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.34
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(tributylstannylmethyl)butan-1-amine?
The IUPAC name of N-benzyl-N-(tributylstannylmethyl)butan-1-amine (CID 10766617) is N-benzyl-N-(tributylstannylmethyl)butan-1-amine.
What is the SMILES notation for N-benzyl-N-(tributylstannylmethyl)butan-1-amine?
The canonical SMILES for N-benzyl-N-(tributylstannylmethyl)butan-1-amine is CCCCN(Cc1ccccc1)C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of N-benzyl-N-(tributylstannylmethyl)butan-1-amine?
The InChIKey is CPUABIGKYYGFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N.3C4H9.Sn/c1-3-4-10-13(2)11-12-8-6-5-7-9-12;3*1-3-4-2;/h5-9H,2-4,10-11H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of N-benzyl-N-(tributylstannylmethyl)butan-1-amine?
N-benzyl-N-(tributylstannylmethyl)butan-1-amine has a molecular weight of 466.34 g/mol, XLogP of 7.68, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(tributylstannylmethyl)butan-1-amine is sourced from PubChem (CID 10766617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).