tributyl-[(2S)-pyrrolidin-2-yl]stannane

C16H35NSn — CID 14936914

IUPACtributyl-[(2S)-pyrrolidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1CCCN1
InChIInChI=1S/C4H8N.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h3,5H,1-2,4H2;3*1,3-4H2,2H3;
InChIKeyOITQFIHJDHCMPB-UHFFFAOYSA-N
MW360.17 g/mol
LogP5.13
Rot. Bonds10

About tributyl-[(2S)-pyrrolidin-2-yl]stannane

tributyl-[(2S)-pyrrolidin-2-yl]stannane (PubChem CID 14936914) has the molecular formula C16H35NSn and a molecular weight of 360.17 g/mol. Its IUPAC name is tributyl-[(2S)-pyrrolidin-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(2S)-pyrrolidin-2-yl]stannane
PubChem CID14936914
Molecular FormulaC16H35NSn
Molecular Weight360.17 g/mol
Exact Mass361.18
IUPAC Nametributyl-[(2S)-pyrrolidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1CCCN1
InChIInChI=1S/C4H8N.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h3,5H,1-2,4H2;3*1,3-4H2,2H3;
InChIKeyOITQFIHJDHCMPB-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.17
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

tributyl-[(Z)-2-[(2S)-pyrrolidin-2-yl]ethenyl]stannane
CID 90117435
N-butyl-N-propylpyrrolidin-2-amine
CID 90707555
(2S)-2-hexylpyrrolidine
CID 7047826
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
(2S,3S)-2-butylpiperidin-3-ol
CID 102039830
(2S)-2-(butylsulfanylmethyl)pyrrolidine
CID 102820326
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
2-tetradecylpiperidine
CID 151771246

Frequently Asked Questions

What is the IUPAC name of tributyl-[(2S)-pyrrolidin-2-yl]stannane?
The IUPAC name of tributyl-[(2S)-pyrrolidin-2-yl]stannane (CID 14936914) is tributyl-[(2S)-pyrrolidin-2-yl]stannane.
What is the SMILES notation for tributyl-[(2S)-pyrrolidin-2-yl]stannane?
The canonical SMILES for tributyl-[(2S)-pyrrolidin-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)[C@H]1CCCN1.
What is the InChIKey of tributyl-[(2S)-pyrrolidin-2-yl]stannane?
The InChIKey is OITQFIHJDHCMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h3,5H,1-2,4H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(2S)-pyrrolidin-2-yl]stannane?
tributyl-[(2S)-pyrrolidin-2-yl]stannane has a molecular weight of 360.17 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2S)-pyrrolidin-2-yl]stannane is sourced from PubChem (CID 14936914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).