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

C16H33NO5 — CID 171850546

IUPAC1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
SMILESCCCCCC(=O)CCOCCOCCOCCOCCN
InChIInChI=1S/C16H33NO5/c1-2-3-4-5-16(18)6-8-19-10-12-21-14-15-22-13-11-20-9-7-17/h2-15,17H2,1H3
InChIKeyJGKHXBBQNHTRDS-UHFFFAOYSA-N
MW319.44 g/mol
LogP1.55
Rot. Bonds18

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

1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one (PubChem CID 171850546) has the molecular formula C16H33NO5 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one.

Molecular Properties

Compound Name1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
PubChem CID171850546
Molecular FormulaC16H33NO5
Molecular Weight319.44 g/mol
Exact Mass319.24
IUPAC Name1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
SMILESCCCCCC(=O)CCOCCOCCOCCOCCN
InChIInChI=1S/C16H33NO5/c1-2-3-4-5-16(18)6-8-19-10-12-21-14-15-22-13-11-20-9-7-17/h2-15,17H2,1H3
InChIKeyJGKHXBBQNHTRDS-UHFFFAOYSA-N
XLogP1.55
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 51.55
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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Related Compounds

1-(2-aminoethoxy)dodecan-2-one
CID 116590896
1-[2-[2-[methyl-[2-[2-(3-oxooctoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]octan-3-one
CID 163930166
1-(2-methoxyethoxy)heptan-3-one
CID 102927335
1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen
CID 177241724
1-(2,2,2-trifluoroethoxy)nonan-3-one
CID 103146875
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
6-(2-aminoethoxy)hexan-3-one
CID 158645779
1-propoxyhenicosan-4-one
CID 157232243
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one?
The IUPAC name of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one (CID 171850546) is 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one.
What is the SMILES notation for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one?
The canonical SMILES for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one is CCCCCC(=O)CCOCCOCCOCCOCCN.
What is the InChIKey of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one?
The InChIKey is JGKHXBBQNHTRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO5/c1-2-3-4-5-16(18)6-8-19-10-12-21-14-15-22-13-11-20-9-7-17/h2-15,17H2,1H3.
What are the key properties of 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one?
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one has a molecular weight of 319.44 g/mol, XLogP of 1.55, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one is sourced from PubChem (CID 171850546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).