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

C14H30N2O5 — CID 88878564

IUPACtert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOCCOCCOCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O5/c1-14(2,3)21-13(17)16(4)6-8-19-10-12-20-11-9-18-7-5-15/h5-12,15H2,1-4H3
InChIKeyGLZQUZDQYRPFJI-UHFFFAOYSA-N
MW306.40 g/mol
LogP0.86
Rot. Bonds11

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

tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate (PubChem CID 88878564) has the molecular formula C14H30N2O5 and a molecular weight of 306.40 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
PubChem CID88878564
Molecular FormulaC14H30N2O5
Molecular Weight306.40 g/mol
Exact Mass306.22
IUPAC Nametert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
SMILESCN(CCOCCOCCOCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O5/c1-14(2,3)21-13(17)16(4)6-8-19-10-12-20-11-9-18-7-5-15/h5-12,15H2,1-4H3
InChIKeyGLZQUZDQYRPFJI-UHFFFAOYSA-N
XLogP0.86
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate (CID 88878564) is tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate is CN(CCOCCOCCOCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
The InChIKey is GLZQUZDQYRPFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O5/c1-14(2,3)21-13(17)16(4)6-8-19-10-12-20-11-9-18-7-5-15/h5-12,15H2,1-4H3.
What are the key properties of tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate has a molecular weight of 306.40 g/mol, XLogP of 0.86, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate is sourced from PubChem (CID 88878564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).