bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin

C22H46B2N2Si2Sn — CID 15845403

IUPACbis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin
SMILESC[Si](C)(C)N([Sn]N(B1C2CCCC1CCC2)[Si](C)(C)C)B1C2CCCC1CCC2
InChIInChI=1S/2C11H23BNSi.Sn/c2*1-14(2,3)13-12-10-6-4-7-11(12)9-5-8-10;/h2*10-11H,4-9H2,1-3H3;/q2*-1;+2
InChIKeySEPHRIQSYXGNHG-UHFFFAOYSA-N
MW535.13 g/mol
LogP6.99
Rot. Bonds6

About bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin

bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin (PubChem CID 15845403) has the molecular formula C22H46B2N2Si2Sn and a molecular weight of 535.13 g/mol. Its IUPAC name is bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin.

Molecular Properties

Compound Namebis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin
PubChem CID15845403
Molecular FormulaC22H46B2N2Si2Sn
Molecular Weight535.13 g/mol
Exact Mass536.24
IUPAC Namebis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin
SMILESC[Si](C)(C)N([Sn]N(B1C2CCCC1CCC2)[Si](C)(C)C)B1C2CCCC1CCC2
InChIInChI=1S/2C11H23BNSi.Sn/c2*1-14(2,3)13-12-10-6-4-7-11(12)9-5-8-10;/h2*10-11H,4-9H2,1-3H3;/q2*-1;+2
InChIKeySEPHRIQSYXGNHG-UHFFFAOYSA-N
XLogP6.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.13
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(trimethylsilyl)cyclohexanamine
CID 12571850
N-methyl-4-[[4-[methyl(trimethylsilyl)amino]cyclohexyl]methyl]-N-trimethylsilylcyclohexan-1-amine
CID 156776686
N,N'-bis(9-borabicyclo[3.3.1]nonan-9-yl)-N'-methylethane-1,2-diamine
CID 544881
9-methylselanyl-9-borabicyclo[3.3.1]nonane
CID 578631
2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane
CID 12664965
7-[methyl(trimethylsilyl)amino]oxocan-2-one
CID 140663772
9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane
CID 102203884
[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane
CID 101386700
9-(9-borabicyclo[3.3.1]nonan-9-ylsulfanyl)-9-borabicyclo[3.3.1]nonane
CID 577601
N-methyl-N-[methyl-bis(methylamino)silyl]cyclohexanamine
CID 66629069
(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 89065827
[cyclohexyl(methyl)amino]-methylsilanylium
CID 147163373

Frequently Asked Questions

What is the IUPAC name of bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin?
The IUPAC name of bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin (CID 15845403) is bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin.
What is the SMILES notation for bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin?
The canonical SMILES for bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin is C[Si](C)(C)N([Sn]N(B1C2CCCC1CCC2)[Si](C)(C)C)B1C2CCCC1CCC2.
What is the InChIKey of bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin?
The InChIKey is SEPHRIQSYXGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23BNSi.Sn/c2*1-14(2,3)13-12-10-6-4-7-11(12)9-5-8-10;/h2*10-11H,4-9H2,1-3H3;/q2*-1;+2.
What are the key properties of bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin?
bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin has a molecular weight of 535.13 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin is sourced from PubChem (CID 15845403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).