8-(2-aminoethoxy)octane-2,5-dione

C10H19NO3 — CID 123484370

IUPAC8-(2-aminoethoxy)octane-2,5-dione
SMILESCC(=O)CCC(=O)CCCOCCN
InChIInChI=1S/C10H19NO3/c1-9(12)4-5-10(13)3-2-7-14-8-6-11/h2-8,11H2,1H3
InChIKeyHUHZTQVEWKGTRU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.68
Rot. Bonds9

About 8-(2-aminoethoxy)octane-2,5-dione

8-(2-aminoethoxy)octane-2,5-dione (PubChem CID 123484370) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 8-(2-aminoethoxy)octane-2,5-dione.

Molecular Properties

Compound Name8-(2-aminoethoxy)octane-2,5-dione
PubChem CID123484370
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name8-(2-aminoethoxy)octane-2,5-dione
SMILESCC(=O)CCC(=O)CCCOCCN
InChIInChI=1S/C10H19NO3/c1-9(12)4-5-10(13)3-2-7-14-8-6-11/h2-8,11H2,1H3
InChIKeyHUHZTQVEWKGTRU-UHFFFAOYSA-N
XLogP0.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.68
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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Related Compounds

2-Aminoethyl dodecanoate
CID 414633
2-Aminoethyl decanoate
CID 44239119
Ethanolamine caprylate
CID 59365842
Methylethanolamine caprylate
CID 129727722
8-[2-(2-Aminoethoxy)ethoxy]octane-2,5-dione
CID 58325784
2-Aminoethyl nonanoate
CID 88514397
1-Aminopropan-2-yl dodecanoate
CID 88691632
2-Aminoethyl undecanoate
CID 101278298
Tert-butyl 9-(2-aminoethoxy)nonanoate
CID 155029968
1-Amino-12-methoxytridecane-3,6,9-trione
CID 163931257
Methyl 10-(1-aminobutan-2-yloxy)decanoate
CID 177224783
2-Aminoethyl tridecanoate
CID 101278299

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethoxy)octane-2,5-dione?
The IUPAC name of 8-(2-aminoethoxy)octane-2,5-dione (CID 123484370) is 8-(2-aminoethoxy)octane-2,5-dione.
What is the SMILES notation for 8-(2-aminoethoxy)octane-2,5-dione?
The canonical SMILES for 8-(2-aminoethoxy)octane-2,5-dione is CC(=O)CCC(=O)CCCOCCN.
What is the InChIKey of 8-(2-aminoethoxy)octane-2,5-dione?
The InChIKey is HUHZTQVEWKGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(12)4-5-10(13)3-2-7-14-8-6-11/h2-8,11H2,1H3.
What are the key properties of 8-(2-aminoethoxy)octane-2,5-dione?
8-(2-aminoethoxy)octane-2,5-dione has a molecular weight of 201.27 g/mol, XLogP of 0.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethoxy)octane-2,5-dione is sourced from PubChem (CID 123484370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).