6-(2-aminoethoxy)hexan-3-one

C8H17NO2 — CID 158645779

IUPAC6-(2-aminoethoxy)hexan-3-one
SMILESCCC(=O)CCCOCCN
InChIInChI=1S/C8H17NO2/c1-2-8(10)4-3-6-11-7-5-9/h2-7,9H2,1H3
InChIKeyOBDVAUMJBJXTAQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.72
Rot. Bonds7

About 6-(2-aminoethoxy)hexan-3-one

6-(2-aminoethoxy)hexan-3-one (PubChem CID 158645779) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 6-(2-aminoethoxy)hexan-3-one.

Molecular Properties

Compound Name6-(2-aminoethoxy)hexan-3-one
PubChem CID158645779
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name6-(2-aminoethoxy)hexan-3-one
SMILESCCC(=O)CCCOCCN
InChIInChI=1S/C8H17NO2/c1-2-8(10)4-3-6-11-7-5-9/h2-7,9H2,1H3
InChIKeyOBDVAUMJBJXTAQ-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-Aminoethoxy)ethoxy]pentan-2-one
CID 58403473
5-[3-(2-Aminoethoxy)-3-methylbutoxy]-5-methylhexan-2-one
CID 90147300
8-(2-Aminoethoxy)octane-2,5-dione
CID 123484370
6-[2-(Methylamino)ethoxy]hexan-2-one
CID 155726220
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]hexan-3-one
CID 156047050
1-(2-Aminoethoxy)-6-deuteriohexan-3-one
CID 163566832
6-[3-[2-(Methylamino)ethoxy]propoxy]hexan-3-one
CID 169850676
1-(2-Aminoethoxy)hexan-2-one
CID 116590852
5-(2-Aminoethoxy)pentan-2-one
CID 148390467
6-(2-Aminoethoxy)hexan-2-one
CID 157831936
1-(2-Aminoethoxy)-7-hydroxyheptan-4-one
CID 161419100

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxy)hexan-3-one?
The IUPAC name of 6-(2-aminoethoxy)hexan-3-one (CID 158645779) is 6-(2-aminoethoxy)hexan-3-one.
What is the SMILES notation for 6-(2-aminoethoxy)hexan-3-one?
The canonical SMILES for 6-(2-aminoethoxy)hexan-3-one is CCC(=O)CCCOCCN.
What is the InChIKey of 6-(2-aminoethoxy)hexan-3-one?
The InChIKey is OBDVAUMJBJXTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-8(10)4-3-6-11-7-5-9/h2-7,9H2,1H3.
What are the key properties of 6-(2-aminoethoxy)hexan-3-one?
6-(2-aminoethoxy)hexan-3-one has a molecular weight of 159.23 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxy)hexan-3-one is sourced from PubChem (CID 158645779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).