5-amino-1-ethoxyhexan-2-one

C8H17NO2 — CID 116571563

IUPAC5-amino-1-ethoxyhexan-2-one
SMILESCCOCC(=O)CCC(C)N
InChIInChI=1S/C8H17NO2/c1-3-11-6-8(10)5-4-7(2)9/h7H,3-6,9H2,1-2H3
InChIKeyQQNZIJLEKQZHER-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.72
Rot. Bonds6

About 5-amino-1-ethoxyhexan-2-one

5-amino-1-ethoxyhexan-2-one (PubChem CID 116571563) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-amino-1-ethoxyhexan-2-one.

Molecular Properties

Compound Name5-amino-1-ethoxyhexan-2-one
PubChem CID116571563
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-amino-1-ethoxyhexan-2-one
SMILESCCOCC(=O)CCC(C)N
InChIInChI=1S/C8H17NO2/c1-3-11-6-8(10)5-4-7(2)9/h7H,3-6,9H2,1-2H3
InChIKeyQQNZIJLEKQZHER-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

1-aminooxy-3-ethoxypropan-2-one
CID 163799340
N-(4-aminopentyl)-2-ethoxyacetamide
CID 106122279
5-chloro-1-ethoxypentan-2-one
CID 79566492
1-ethoxyhexadecan-2-one
CID 58991968
1-(2-aminoethoxy)-5-methylhexan-2-one
CID 116590814
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
ethyl 5-(2-methylpropoxy)-4-oxopentanoate
CID 103484854
(2R)-2-(3-ethoxy-2-oxopropyl)-5-oxohexanoic acid
CID 58249232
4-aminopentanoic acid;ethane
CID 143436801
ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate
CID 163862980
bis(4-ethoxybutane-1,3-dione);bis(propan-2-ol);titanium(2+)
CID 18935059
2-ethoxy-N-(4-hydroxybutan-2-yl)acetamide
CID 81050051

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethoxyhexan-2-one?
The IUPAC name of 5-amino-1-ethoxyhexan-2-one (CID 116571563) is 5-amino-1-ethoxyhexan-2-one.
What is the SMILES notation for 5-amino-1-ethoxyhexan-2-one?
The canonical SMILES for 5-amino-1-ethoxyhexan-2-one is CCOCC(=O)CCC(C)N.
What is the InChIKey of 5-amino-1-ethoxyhexan-2-one?
The InChIKey is QQNZIJLEKQZHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-11-6-8(10)5-4-7(2)9/h7H,3-6,9H2,1-2H3.
What are the key properties of 5-amino-1-ethoxyhexan-2-one?
5-amino-1-ethoxyhexan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethoxyhexan-2-one is sourced from PubChem (CID 116571563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).