dibutyltin;bis(N,N-dimethylpentan-2-amine)

C22H52N2Sn — CID 88628949

IUPACdibutyltin;bis(N,N-dimethylpentan-2-amine)
SMILESCCCC(C)N(C)C.CCCC(C)N(C)C.CCCC[Sn]CCCC
InChIInChI=1S/2C7H17N.2C4H9.Sn/c2*1-5-6-7(2)8(3)4;2*1-3-4-2;/h2*7H,5-6H2,1-4H3;2*1,3-4H2,2H3;
InChIKeyIKCZOQBDBMLMRQ-UHFFFAOYSA-N
MW463.38 g/mol
LogP6.60
Rot. Bonds12

About dibutyltin;bis(N,N-dimethylpentan-2-amine)

dibutyltin;bis(N,N-dimethylpentan-2-amine) (PubChem CID 88628949) has the molecular formula C22H52N2Sn and a molecular weight of 463.38 g/mol. Its IUPAC name is dibutyltin;bis(N,N-dimethylpentan-2-amine).

Molecular Properties

Compound Namedibutyltin;bis(N,N-dimethylpentan-2-amine)
PubChem CID88628949
Molecular FormulaC22H52N2Sn
Molecular Weight463.38 g/mol
Exact Mass464.32
IUPAC Namedibutyltin;bis(N,N-dimethylpentan-2-amine)
SMILESCCCC(C)N(C)C.CCCC(C)N(C)C.CCCC[Sn]CCCC
InChIInChI=1S/2C7H17N.2C4H9.Sn/c2*1-5-6-7(2)8(3)4;2*1-3-4-2;/h2*7H,5-6H2,1-4H3;2*1,3-4H2,2H3;
InChIKeyIKCZOQBDBMLMRQ-UHFFFAOYSA-N
XLogP6.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutyltin;silane
CID 163880557
dibutyltin
CID 6484
dibutyltin;methane
CID 158142869
dibutyltin;λ2-stannane
CID 174939385
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
but-1-ene;N,N-dimethylpentan-2-amine;ethane
CID 145343513
butyl(3,3-dimethoxypropyl)tin
CID 87371389
1-N,1-N-dibutyl-6-N,6-N-dimethylheptane-1,6-diamine
CID 87965126
dibutyltin;tris(ethane-1,1,1,2,2,2-hexol)
CID 173133836
butyl(3-hydroxypropyl)tin
CID 177489361
N-methyl-N-(3-methylbutan-2-yl)pentan-2-amine
CID 90729081
N-butan-2-yl-N-methylhexan-2-amine
CID 146247078

Frequently Asked Questions

What is the IUPAC name of dibutyltin;bis(N,N-dimethylpentan-2-amine)?
The IUPAC name of dibutyltin;bis(N,N-dimethylpentan-2-amine) (CID 88628949) is dibutyltin;bis(N,N-dimethylpentan-2-amine).
What is the SMILES notation for dibutyltin;bis(N,N-dimethylpentan-2-amine)?
The canonical SMILES for dibutyltin;bis(N,N-dimethylpentan-2-amine) is CCCC(C)N(C)C.CCCC(C)N(C)C.CCCC[Sn]CCCC.
What is the InChIKey of dibutyltin;bis(N,N-dimethylpentan-2-amine)?
The InChIKey is IKCZOQBDBMLMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H17N.2C4H9.Sn/c2*1-5-6-7(2)8(3)4;2*1-3-4-2;/h2*7H,5-6H2,1-4H3;2*1,3-4H2,2H3;.
What are the key properties of dibutyltin;bis(N,N-dimethylpentan-2-amine)?
dibutyltin;bis(N,N-dimethylpentan-2-amine) has a molecular weight of 463.38 g/mol, XLogP of 6.60, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyltin;bis(N,N-dimethylpentan-2-amine) is sourced from PubChem (CID 88628949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).