tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate

C12H26N2O4 — CID 91665611

IUPACtert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate
SMILESCN(CCNCCOCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O4/c1-12(2,3)18-11(16)14(4)7-5-13-6-9-17-10-8-15/h13,15H,5-10H2,1-4H3
InChIKeyRZZQCIBGHFVPJC-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.45
Rot. Bonds8

About tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate (PubChem CID 91665611) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate
PubChem CID91665611
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Nametert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate
SMILESCN(CCNCCOCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O4/c1-12(2,3)18-11(16)14(4)7-5-13-6-9-17-10-8-15/h13,15H,5-10H2,1-4H3
InChIKeyRZZQCIBGHFVPJC-UHFFFAOYSA-N
XLogP0.45
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate (CID 91665611) is tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate is CN(CCNCCOCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate?
The InChIKey is RZZQCIBGHFVPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c1-12(2,3)18-11(16)14(4)7-5-13-6-9-17-10-8-15/h13,15H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate has a molecular weight of 262.35 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-hydroxyethoxy)ethylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 91665611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).