6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine

C16H37NO2SSn — CID 139812944

IUPAC6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine
SMILESCCC(C)O[Sn](CCCCC(C)N)(CSC)OC(C)CC
InChIInChI=1S/C6H14N.2C4H9O.C2H5S.Sn/c1-3-4-5-6(2)7;2*1-3-4(2)5;1-3-2;/h6H,1,3-5,7H2,2H3;2*4H,3H2,1-2H3;1H2,2H3;/q;2*-1;;+2
InChIKeyNHLLGDNJZCDTMD-UHFFFAOYSA-N
MW426.26 g/mol
LogP4.48
Rot. Bonds13

About 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine

6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine (PubChem CID 139812944) has the molecular formula C16H37NO2SSn and a molecular weight of 426.26 g/mol. Its IUPAC name is 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine.

Molecular Properties

Compound Name6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine
PubChem CID139812944
Molecular FormulaC16H37NO2SSn
Molecular Weight426.26 g/mol
Exact Mass427.16
IUPAC Name6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine
SMILESCCC(C)O[Sn](CCCCC(C)N)(CSC)OC(C)CC
InChIInChI=1S/C6H14N.2C4H9O.C2H5S.Sn/c1-3-4-5-6(2)7;2*1-3-4(2)5;1-3-2;/h6H,1,3-5,7H2,2H3;2*4H,3H2,1-2H3;1H2,2H3;/q;2*-1;;+2
InChIKeyNHLLGDNJZCDTMD-UHFFFAOYSA-N
XLogP4.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine?
The IUPAC name of 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine (CID 139812944) is 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine.
What is the SMILES notation for 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine?
The canonical SMILES for 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine is CCC(C)O[Sn](CCCCC(C)N)(CSC)OC(C)CC.
What is the InChIKey of 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine?
The InChIKey is NHLLGDNJZCDTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.2C4H9O.C2H5S.Sn/c1-3-4-5-6(2)7;2*1-3-4(2)5;1-3-2;/h6H,1,3-5,7H2,2H3;2*4H,3H2,1-2H3;1H2,2H3;/q;2*-1;;+2.
What are the key properties of 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine?
6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine has a molecular weight of 426.26 g/mol, XLogP of 4.48, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[di(butan-2-yloxy)-(methylsulfanylmethyl)stannyl]hexan-2-amine is sourced from PubChem (CID 139812944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).