2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid

C15H32N2O6 — CID 98007656

IUPAC2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCOCCOCCOCCOCCN)C(=O)O
InChIInChI=1S/C15H32N2O6/c1-15(2,3)17(14(18)19)5-7-21-9-11-23-13-12-22-10-8-20-6-4-16/h4-13,16H2,1-3H3,(H,18,19)
InChIKeyMLHXWEZQMZXYQQ-UHFFFAOYSA-N
MW336.43 g/mol
LogP0.79
Rot. Bonds14

About 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid (PubChem CID 98007656) has the molecular formula C15H32N2O6 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
PubChem CID98007656
Molecular FormulaC15H32N2O6
Molecular Weight336.43 g/mol
Exact Mass336.23
IUPAC Name2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCOCCOCCOCCOCCN)C(=O)O
InChIInChI=1S/C15H32N2O6/c1-15(2,3)17(14(18)19)5-7-21-9-11-23-13-12-22-10-8-20-6-4-16/h4-13,16H2,1-3H3,(H,18,19)
InChIKeyMLHXWEZQMZXYQQ-UHFFFAOYSA-N
XLogP0.79
TPSA103.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid (CID 98007656) is 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCOCCOCCOCCOCCN)C(=O)O.
What is the InChIKey of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The InChIKey is MLHXWEZQMZXYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O6/c1-15(2,3)17(14(18)19)5-7-21-9-11-23-13-12-22-10-8-20-6-4-16/h4-13,16H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid has a molecular weight of 336.43 g/mol, XLogP of 0.79, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 98007656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).