1-[2-(2-aminoethoxy)ethoxy]pentan-3-one

C9H19NO3 — CID 142523135

IUPAC1-[2-(2-aminoethoxy)ethoxy]pentan-3-one
SMILESCCC(=O)CCOCCOCCN
InChIInChI=1S/C9H19NO3/c1-2-9(11)3-5-12-7-8-13-6-4-10/h2-8,10H2,1H3
InChIKeyWHGHGGKIHPVNDT-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.35
Rot. Bonds9

About 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one

1-[2-(2-aminoethoxy)ethoxy]pentan-3-one (PubChem CID 142523135) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethoxy]pentan-3-one
PubChem CID142523135
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name1-[2-(2-aminoethoxy)ethoxy]pentan-3-one
SMILESCCC(=O)CCOCCOCCN
InChIInChI=1S/C9H19NO3/c1-2-9(11)3-5-12-7-8-13-6-4-10/h2-8,10H2,1H3
InChIKeyWHGHGGKIHPVNDT-UHFFFAOYSA-N
XLogP0.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one?
The IUPAC name of 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one (CID 142523135) is 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one is CCC(=O)CCOCCOCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one?
The InChIKey is WHGHGGKIHPVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-9(11)3-5-12-7-8-13-6-4-10/h2-8,10H2,1H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one?
1-[2-(2-aminoethoxy)ethoxy]pentan-3-one has a molecular weight of 189.25 g/mol, XLogP of 0.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethoxy]pentan-3-one is sourced from PubChem (CID 142523135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).