1-(4-aminooxan-4-yl)ethanone;ethane

C9H19NO2 — CID 144882429

IUPAC1-(4-aminooxan-4-yl)ethanone;ethane
SMILESCC.CC(=O)C1(N)CCOCC1
InChIInChI=1S/C7H13NO2.C2H6/c1-6(9)7(8)2-4-10-5-3-7;1-2/h2-5,8H2,1H3;1-2H3
InChIKeyLYBHVBBUCXDFRO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.11
Rot. Bonds1

About 1-(4-aminooxan-4-yl)ethanone;ethane

1-(4-aminooxan-4-yl)ethanone;ethane (PubChem CID 144882429) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)ethanone;ethane
PubChem CID144882429
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(4-aminooxan-4-yl)ethanone;ethane
SMILESCC.CC(=O)C1(N)CCOCC1
InChIInChI=1S/C7H13NO2.C2H6/c1-6(9)7(8)2-4-10-5-3-7;1-2/h2-5,8H2,1H3;1-2H3
InChIKeyLYBHVBBUCXDFRO-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminooxan-4-yl)ethanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)ethanone;ethane?
The IUPAC name of 1-(4-aminooxan-4-yl)ethanone;ethane (CID 144882429) is 1-(4-aminooxan-4-yl)ethanone;ethane.
What is the SMILES notation for 1-(4-aminooxan-4-yl)ethanone;ethane?
The canonical SMILES for 1-(4-aminooxan-4-yl)ethanone;ethane is CC.CC(=O)C1(N)CCOCC1.
What is the InChIKey of 1-(4-aminooxan-4-yl)ethanone;ethane?
The InChIKey is LYBHVBBUCXDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-6(9)7(8)2-4-10-5-3-7;1-2/h2-5,8H2,1H3;1-2H3.
What are the key properties of 1-(4-aminooxan-4-yl)ethanone;ethane?
1-(4-aminooxan-4-yl)ethanone;ethane has a molecular weight of 173.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)ethanone;ethane is sourced from PubChem (CID 144882429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).