1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate

C10H21NO5 — CID 176704831

IUPAC1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate
SMILESCC(COCCOCCOCCN)OC=O
InChIInChI=1S/C10H21NO5/c1-10(16-9-12)8-15-7-6-14-5-4-13-3-2-11/h9-10H,2-8,11H2,1H3
InChIKeyCHMQRIMWNNRKRJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.44
Rot. Bonds12

About 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate

1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate (PubChem CID 176704831) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate
PubChem CID176704831
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate
SMILESCC(COCCOCCOCCN)OC=O
InChIInChI=1S/C10H21NO5/c1-10(16-9-12)8-15-7-6-14-5-4-13-3-2-11/h9-10H,2-8,11H2,1H3
InChIKeyCHMQRIMWNNRKRJ-UHFFFAOYSA-N
XLogP-0.44
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate?
The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate (CID 176704831) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate.
What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate?
The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate is CC(COCCOCCOCCN)OC=O.
What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate?
The InChIKey is CHMQRIMWNNRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-10(16-9-12)8-15-7-6-14-5-4-13-3-2-11/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate?
1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate has a molecular weight of 235.28 g/mol, XLogP of -0.44, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate is sourced from PubChem (CID 176704831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).