3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)

C13H31NO2Sn — CID 19359865

IUPAC3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)
SMILESCCC(C)[O-].CCC(C)[O-].C[Sn+2]CCC(C)N
InChIInChI=1S/C4H10N.2C4H9O.CH3.Sn/c3*1-3-4(2)5;;/h4H,1,3,5H2,2H3;2*4H,3H2,1-2H3;1H3;/q;2*-1;;+2
InChIKeyPYKFRMUDSOESRX-UHFFFAOYSA-N
MW352.11 g/mol
LogP1.18
Rot. Bonds5

About 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)

3-aminobutyl(methyl)tin(2+);bis(butan-2-olate) (PubChem CID 19359865) has the molecular formula C13H31NO2Sn and a molecular weight of 352.11 g/mol. Its IUPAC name is 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate).

Molecular Properties

Compound Name3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)
PubChem CID19359865
Molecular FormulaC13H31NO2Sn
Molecular Weight352.11 g/mol
Exact Mass353.14
IUPAC Name3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)
SMILESCCC(C)[O-].CCC(C)[O-].C[Sn+2]CCC(C)N
InChIInChI=1S/C4H10N.2C4H9O.CH3.Sn/c3*1-3-4(2)5;;/h4H,1,3,5H2,2H3;2*4H,3H2,1-2H3;1H3;/q;2*-1;;+2
InChIKeyPYKFRMUDSOESRX-UHFFFAOYSA-N
XLogP1.18
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.11
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trilithium;tris(butan-2-olate)
CID 162372928
(5R)-hexane-2,5-diamine
CID 144618459
(2S)-pentan-2-amine
CID 6997344
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
4-aminopentyl(ethyl)tin(2+)
CID 19359441
pentan-2-amine;propane
CID 166536368
5-methylheptan-2-amine;hydrochloride
CID 127255592
4-aminobutyl(ethyl)tin(2+);bis(butan-2-olate)
CID 19359690
ethane;molecular hydrogen;pentan-2-amine
CID 178004416
docosane-2,21-diamine
CID 150079956
butan-2-amine;formonitrile
CID 157293075
5-(2,3,4-triethoxyphenyl)heptan-2-amine
CID 83934242

Frequently Asked Questions

What is the IUPAC name of 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)?
The IUPAC name of 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate) (CID 19359865) is 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate).
What is the SMILES notation for 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)?
The canonical SMILES for 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate) is CCC(C)[O-].CCC(C)[O-].C[Sn+2]CCC(C)N.
What is the InChIKey of 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)?
The InChIKey is PYKFRMUDSOESRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N.2C4H9O.CH3.Sn/c3*1-3-4(2)5;;/h4H,1,3,5H2,2H3;2*4H,3H2,1-2H3;1H3;/q;2*-1;;+2.
What are the key properties of 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)?
3-aminobutyl(methyl)tin(2+);bis(butan-2-olate) has a molecular weight of 352.11 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutyl(methyl)tin(2+);bis(butan-2-olate) is sourced from PubChem (CID 19359865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).