4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)

C14H33NO2Sn — CID 19359690

IUPAC4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)
SMILESCCC(C)[O-].CCC(C)[O-].CC[Sn+2]CCCCN
InChIInChI=1S/C4H10N.2C4H9O.C2H5.Sn/c1-2-3-4-5;2*1-3-4(2)5;1-2;/h1-5H2;2*4H,3H2,1-2H3;1H2,2H3;/q;2*-1;;+2
InChIKeyWFRWSAWNBZQTSE-UHFFFAOYSA-N
MW366.13 g/mol
LogP1.58
Rot. Bonds7

About 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)

4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate) (PubChem CID 19359690) has the molecular formula C14H33NO2Sn and a molecular weight of 366.13 g/mol. Its IUPAC name is 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate).

Molecular Properties

Compound Name4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)
PubChem CID19359690
Molecular FormulaC14H33NO2Sn
Molecular Weight366.13 g/mol
Exact Mass367.15
IUPAC Name4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)
SMILESCCC(C)[O-].CCC(C)[O-].CC[Sn+2]CCCCN
InChIInChI=1S/C4H10N.2C4H9O.C2H5.Sn/c1-2-3-4-5;2*1-3-4(2)5;1-2;/h1-5H2;2*4H,3H2,1-2H3;1H2,2H3;/q;2*-1;;+2
InChIKeyWFRWSAWNBZQTSE-UHFFFAOYSA-N
XLogP1.58
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)?
The IUPAC name of 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate) (CID 19359690) is 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate).
What is the SMILES notation for 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)?
The canonical SMILES for 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate) is CCC(C)[O-].CCC(C)[O-].CC[Sn+2]CCCCN.
What is the InChIKey of 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)?
The InChIKey is WFRWSAWNBZQTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N.2C4H9O.C2H5.Sn/c1-2-3-4-5;2*1-3-4(2)5;1-2;/h1-5H2;2*4H,3H2,1-2H3;1H2,2H3;/q;2*-1;;+2.
What are the key properties of 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)?
4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate) has a molecular weight of 366.13 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate) is sourced from PubChem (CID 19359690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).