N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine

C19H33NO2Sn — CID 16683177

IUPACN-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine
SMILESCCCC[Sn]1(CCCC)OCC(CN(C)Cc2ccccc2)O1
InChIInChI=1S/C11H15NO2.2C4H9.Sn/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10;2*1-3-4-2;/h2-6,11H,7-9H2,1H3;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyVZPKQBKTFYTNPJ-UHFFFAOYSA-N
MW426.19 g/mol
LogP4.58
Rot. Bonds10

About N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine

N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine (PubChem CID 16683177) has the molecular formula C19H33NO2Sn and a molecular weight of 426.19 g/mol. Its IUPAC name is N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine
PubChem CID16683177
Molecular FormulaC19H33NO2Sn
Molecular Weight426.19 g/mol
Exact Mass427.15
IUPAC NameN-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine
SMILESCCCC[Sn]1(CCCC)OCC(CN(C)Cc2ccccc2)O1
InChIInChI=1S/C11H15NO2.2C4H9.Sn/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10;2*1-3-4-2;/h2-6,11H,7-9H2,1H3;2*1,3-4H2,2H3;/q-2;;;+2
InChIKeyVZPKQBKTFYTNPJ-UHFFFAOYSA-N
XLogP4.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.19
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-3-pyrrolidinol
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CID 70331967

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine?
The IUPAC name of N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine (CID 16683177) is N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine?
The canonical SMILES for N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine is CCCC[Sn]1(CCCC)OCC(CN(C)Cc2ccccc2)O1.
What is the InChIKey of N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine?
The InChIKey is VZPKQBKTFYTNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.2C4H9.Sn/c1-12(8-11(14)9-13)7-10-5-3-2-4-6-10;2*1-3-4-2;/h2-6,11H,7-9H2,1H3;2*1,3-4H2,2H3;/q-2;;;+2.
What are the key properties of N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine?
N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine has a molecular weight of 426.19 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 16683177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).