dibutyltin;bis(6-(methylamino)hexanoic acid)

C22H48N2O4Sn — CID 175286402

IUPACdibutyltin;bis(6-(methylamino)hexanoic acid)
SMILESCCCC[Sn]CCCC.CNCCCCCC(=O)O.CNCCCCCC(=O)O
InChIInChI=1S/2C7H15NO2.2C4H9.Sn/c2*1-8-6-4-2-3-5-7(9)10;2*1-3-4-2;/h2*8H,2-6H2,1H3,(H,9,10);2*1,3-4H2,2H3;
InChIKeySQIAKLLTUFAHRA-UHFFFAOYSA-N
MW523.35 g/mol
LogP4.83
Rot. Bonds18

About dibutyltin;bis(6-(methylamino)hexanoic acid)

dibutyltin;bis(6-(methylamino)hexanoic acid) (PubChem CID 175286402) has the molecular formula C22H48N2O4Sn and a molecular weight of 523.35 g/mol. Its IUPAC name is dibutyltin;bis(6-(methylamino)hexanoic acid).

Molecular Properties

Compound Namedibutyltin;bis(6-(methylamino)hexanoic acid)
PubChem CID175286402
Molecular FormulaC22H48N2O4Sn
Molecular Weight523.35 g/mol
Exact Mass524.26
IUPAC Namedibutyltin;bis(6-(methylamino)hexanoic acid)
SMILESCCCC[Sn]CCCC.CNCCCCCC(=O)O.CNCCCCCC(=O)O
InChIInChI=1S/2C7H15NO2.2C4H9.Sn/c2*1-8-6-4-2-3-5-7(9)10;2*1-3-4-2;/h2*8H,2-6H2,1H3,(H,9,10);2*1,3-4H2,2H3;
InChIKeySQIAKLLTUFAHRA-UHFFFAOYSA-N
XLogP4.83
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.35
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexanoic acid;N-methyltridecan-1-amine
CID 173175224
dibutyltin;tetrakis(dodecanoic acid)
CID 173333361
6-(methylamino)hexanoic acid
CID 4989372
5-(methylamino)pentanoic acid
CID 91583432
ethane;5-(methylamino)pentanoic acid
CID 178043439
butane-1,4-diol;dibutyltin;dodecanoic acid
CID 174920142
dibutyltin;dodecanoic acid;formic acid
CID 174859966
dipropyltin;dodecanoic acid
CID 157111444
dodecanoic acid;2-(methylamino)ethanol
CID 11500072
docosanoic acid;N-methylmethanamine
CID 87854967
docosanoic acid;N,N',N'-trimethylpropane-1,3-diamine
CID 172819174
CID 57488644
CID 57488644

Frequently Asked Questions

What is the IUPAC name of dibutyltin;bis(6-(methylamino)hexanoic acid)?
The IUPAC name of dibutyltin;bis(6-(methylamino)hexanoic acid) (CID 175286402) is dibutyltin;bis(6-(methylamino)hexanoic acid).
What is the SMILES notation for dibutyltin;bis(6-(methylamino)hexanoic acid)?
The canonical SMILES for dibutyltin;bis(6-(methylamino)hexanoic acid) is CCCC[Sn]CCCC.CNCCCCCC(=O)O.CNCCCCCC(=O)O.
What is the InChIKey of dibutyltin;bis(6-(methylamino)hexanoic acid)?
The InChIKey is SQIAKLLTUFAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15NO2.2C4H9.Sn/c2*1-8-6-4-2-3-5-7(9)10;2*1-3-4-2;/h2*8H,2-6H2,1H3,(H,9,10);2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;bis(6-(methylamino)hexanoic acid)?
dibutyltin;bis(6-(methylamino)hexanoic acid) has a molecular weight of 523.35 g/mol, XLogP of 4.83, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;bis(6-(methylamino)hexanoic acid) is sourced from PubChem (CID 175286402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).