1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone

C10H19NO3 — CID 116604563

IUPAC1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H19NO3/c1-8(2)14-7-9(12)10(11)3-5-13-6-4-10/h8H,3-7,11H2,1-2H3
InChIKeyJZQPHEBAEKMOSB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.49
Rot. Bonds4

About 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone

1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone (PubChem CID 116604563) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone
PubChem CID116604563
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1(N)CCOCC1
InChIInChI=1S/C10H19NO3/c1-8(2)14-7-9(12)10(11)3-5-13-6-4-10/h8H,3-7,11H2,1-2H3
InChIKeyJZQPHEBAEKMOSB-UHFFFAOYSA-N
XLogP0.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone 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)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone (CID 116604563) is 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1(N)CCOCC1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone?
The InChIKey is JZQPHEBAEKMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)14-7-9(12)10(11)3-5-13-6-4-10/h8H,3-7,11H2,1-2H3.
What are the key properties of 1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone?
1-(4-aminooxan-4-yl)-2-propan-2-yloxyethanone has a molecular weight of 201.27 g/mol, XLogP of 0.49, 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-propan-2-yloxyethanone is sourced from PubChem (CID 116604563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).