tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate

C10H22N2O4 — CID 132820513

IUPACtert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate
SMILESCN(OCCOCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O4/c1-10(2,3)16-9(13)12(4)15-8-7-14-6-5-11/h5-8,11H2,1-4H3
InChIKeySGEULBKSNAQSIH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.76
Rot. Bonds6

About tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate

tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate (PubChem CID 132820513) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate
PubChem CID132820513
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Nametert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate
SMILESCN(OCCOCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O4/c1-10(2,3)16-9(13)12(4)15-8-7-14-6-5-11/h5-8,11H2,1-4H3
InChIKeySGEULBKSNAQSIH-UHFFFAOYSA-N
XLogP0.76
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate (CID 132820513) is tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate is CN(OCCOCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate?
The InChIKey is SGEULBKSNAQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-10(2,3)16-9(13)12(4)15-8-7-14-6-5-11/h5-8,11H2,1-4H3.
What are the key properties of tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate?
tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate has a molecular weight of 234.30 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-aminoethoxy)ethoxy]-N-methylcarbamate is sourced from PubChem (CID 132820513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).