3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine

C13H31NO2Sn — CID 139812974

IUPAC3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine
SMILESCCC(C)O[Sn](CC)(CCCN)OC(C)CC
InChIInChI=1S/2C4H9O.C3H8N.C2H5.Sn/c2*1-3-4(2)5;1-2-3-4;1-2;/h2*4H,3H2,1-2H3;1-4H2;1H2,2H3;/q2*-1;;;+2
InChIKeyAWQIGILBOBAMSI-UHFFFAOYSA-N
MW352.11 g/mol
LogP3.43
Rot. Bonds10

About 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine

3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine (PubChem CID 139812974) has the molecular formula C13H31NO2Sn and a molecular weight of 352.11 g/mol. Its IUPAC name is 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine.

Molecular Properties

Compound Name3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine
PubChem CID139812974
Molecular FormulaC13H31NO2Sn
Molecular Weight352.11 g/mol
Exact Mass353.14
IUPAC Name3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine
SMILESCCC(C)O[Sn](CC)(CCCN)OC(C)CC
InChIInChI=1S/2C4H9O.C3H8N.C2H5.Sn/c2*1-3-4(2)5;1-2-3-4;1-2;/h2*4H,3H2,1-2H3;1-4H2;1H2,2H3;/q2*-1;;;+2
InChIKeyAWQIGILBOBAMSI-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine?
The IUPAC name of 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine (CID 139812974) is 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine.
What is the SMILES notation for 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine?
The canonical SMILES for 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine is CCC(C)O[Sn](CC)(CCCN)OC(C)CC.
What is the InChIKey of 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine?
The InChIKey is AWQIGILBOBAMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.C3H8N.C2H5.Sn/c2*1-3-4(2)5;1-2-3-4;1-2;/h2*4H,3H2,1-2H3;1-4H2;1H2,2H3;/q2*-1;;;+2.
What are the key properties of 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine?
3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine has a molecular weight of 352.11 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(butan-2-yloxy)-ethylstannyl]propan-1-amine is sourced from PubChem (CID 139812974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).