dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin

C24H52Cl2Li2N4Sn2 — CID 157203407

IUPACdilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin
SMILESC[C@H]([N-]C(C)(C)C)[C@H](C)[N-]C(C)(C)C.C[C@H]1[C@H](C)N(C(C)(C)C)[Sn]N1C(C)(C)C.Cl[Sn]Cl.[Li+].[Li+]
InChIInChI=1S/2C12H26N2.2ClH.2Li.2Sn/c2*1-9(13-11(3,4)5)10(2)14-12(6,7)8;;;;;;/h2*9-10H,1-8H3;2*1H;;;;/q2*-2;;;2*+1;2*+2/p-2/t2*9-,10-;;;;;;/m00....../s1
InChIKeyARBIFRIUFGMEAK-IRZRXTCZSA-L
MW718.92 g/mol
LogP1.63
Rot. Bonds3

About dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin

dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin (PubChem CID 157203407) has the molecular formula C24H52Cl2Li2N4Sn2 and a molecular weight of 718.92 g/mol. Its IUPAC name is dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin.

Molecular Properties

Compound Namedilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin
PubChem CID157203407
Molecular FormulaC24H52Cl2Li2N4Sn2
Molecular Weight718.92 g/mol
Exact Mass720.19
IUPAC Namedilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin
SMILESC[C@H]([N-]C(C)(C)C)[C@H](C)[N-]C(C)(C)C.C[C@H]1[C@H](C)N(C(C)(C)C)[Sn]N1C(C)(C)C.Cl[Sn]Cl.[Li+].[Li+]
InChIInChI=1S/2C12H26N2.2ClH.2Li.2Sn/c2*1-9(13-11(3,4)5)10(2)14-12(6,7)8;;;;;;/h2*9-10H,1-8H3;2*1H;;;;/q2*-2;;;2*+1;2*+2/p-2/t2*9-,10-;;;;;;/m00....../s1
InChIKeyARBIFRIUFGMEAK-IRZRXTCZSA-L
XLogP1.63
TPSA34.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500718.92
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin?
The IUPAC name of dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin (CID 157203407) is dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin.
What is the SMILES notation for dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin?
The canonical SMILES for dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin is C[C@H]([N-]C(C)(C)C)[C@H](C)[N-]C(C)(C)C.C[C@H]1[C@H](C)N(C(C)(C)C)[Sn]N1C(C)(C)C.Cl[Sn]Cl.[Li+].[Li+].
What is the InChIKey of dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin?
The InChIKey is ARBIFRIUFGMEAK-IRZRXTCZSA-L. The full InChI is InChI=1S/2C12H26N2.2ClH.2Li.2Sn/c2*1-9(13-11(3,4)5)10(2)14-12(6,7)8;;;;;;/h2*9-10H,1-8H3;2*1H;;;;/q2*-2;;;2*+1;2*+2/p-2/t2*9-,10-;;;;;;/m00....../s1.
What are the key properties of dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin?
dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin has a molecular weight of 718.92 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;tert-butyl-[(2S,3S)-3-tert-butylazanidylbutan-2-yl]azanide;(4S,5S)-1,3-ditert-butyl-4,5-dimethyl-1,3,2λ2-diazastannolidine;dichlorotin is sourced from PubChem (CID 157203407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).