1-(4-aminooxan-4-yl)-2-ethoxyethanone

C9H17NO3 — CID 116604519

IUPAC1-(4-aminooxan-4-yl)-2-ethoxyethanone
SMILESCCOCC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-12-7-8(11)9(10)3-5-13-6-4-9/h2-7,10H2,1H3
InChIKeyLLPOQORYOSFGII-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.10
Rot. Bonds4

About 1-(4-aminooxan-4-yl)-2-ethoxyethanone

1-(4-aminooxan-4-yl)-2-ethoxyethanone (PubChem CID 116604519) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-2-ethoxyethanone
PubChem CID116604519
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-(4-aminooxan-4-yl)-2-ethoxyethanone
SMILESCCOCC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-12-7-8(11)9(10)3-5-13-6-4-9/h2-7,10H2,1H3
InChIKeyLLPOQORYOSFGII-UHFFFAOYSA-N
XLogP0.10
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-2-ethoxyethanone?
The IUPAC name of 1-(4-aminooxan-4-yl)-2-ethoxyethanone (CID 116604519) is 1-(4-aminooxan-4-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(4-aminooxan-4-yl)-2-ethoxyethanone is CCOCC(=O)C1(N)CCOCC1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-2-ethoxyethanone?
The InChIKey is LLPOQORYOSFGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-12-7-8(11)9(10)3-5-13-6-4-9/h2-7,10H2,1H3.
What are the key properties of 1-(4-aminooxan-4-yl)-2-ethoxyethanone?
1-(4-aminooxan-4-yl)-2-ethoxyethanone has a molecular weight of 187.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-2-ethoxyethanone is sourced from PubChem (CID 116604519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).