tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate

C21H46N2O2Sn — CID 72734246

IUPACtert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)CN(CCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19N2O2.3C4H9.Sn/c1-9(2,3)13-8(12)11(4)7-5-6-10;3*1-3-4-2;/h4-7,10H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyIXXRAKGOXZKYBH-UHFFFAOYSA-N
MW477.32 g/mol
LogP5.96
Rot. Bonds14

About tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate

tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate (PubChem CID 72734246) has the molecular formula C21H46N2O2Sn and a molecular weight of 477.32 g/mol. Its IUPAC name is tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate
PubChem CID72734246
Molecular FormulaC21H46N2O2Sn
Molecular Weight477.32 g/mol
Exact Mass478.26
IUPAC Nametert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)CN(CCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19N2O2.3C4H9.Sn/c1-9(2,3)13-8(12)11(4)7-5-6-10;3*1-3-4-2;/h4-7,10H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyIXXRAKGOXZKYBH-UHFFFAOYSA-N
XLogP5.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.32
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate?
The IUPAC name of tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate (CID 72734246) is tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate is CCCC[Sn](CCCC)(CCCC)CN(CCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate?
The InChIKey is IXXRAKGOXZKYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2.3C4H9.Sn/c1-9(2,3)13-8(12)11(4)7-5-6-10;3*1-3-4-2;/h4-7,10H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate?
tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate has a molecular weight of 477.32 g/mol, XLogP of 5.96, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-aminopropyl)-N-(tributylstannylmethyl)carbamate is sourced from PubChem (CID 72734246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).