4-aminooxy-4-morpholin-4-ylbutan-2-ol

C8H18N2O3 — CID 67040066

IUPAC4-aminooxy-4-morpholin-4-ylbutan-2-ol
SMILESCC(O)CC(ON)N1CCOCC1
InChIInChI=1S/C8H18N2O3/c1-7(11)6-8(13-9)10-2-4-12-5-3-10/h7-8,11H,2-6,9H2,1H3
InChIKeyXDUVLBAZHBJFSU-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.69
Rot. Bonds4

About 4-aminooxy-4-morpholin-4-ylbutan-2-ol

4-aminooxy-4-morpholin-4-ylbutan-2-ol (PubChem CID 67040066) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-aminooxy-4-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name4-aminooxy-4-morpholin-4-ylbutan-2-ol
PubChem CID67040066
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name4-aminooxy-4-morpholin-4-ylbutan-2-ol
SMILESCC(O)CC(ON)N1CCOCC1
InChIInChI=1S/C8H18N2O3/c1-7(11)6-8(13-9)10-2-4-12-5-3-10/h7-8,11H,2-6,9H2,1H3
InChIKeyXDUVLBAZHBJFSU-UHFFFAOYSA-N
XLogP-0.69
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminooxy-4-morpholin-4-ylbutan-2-ol?
The IUPAC name of 4-aminooxy-4-morpholin-4-ylbutan-2-ol (CID 67040066) is 4-aminooxy-4-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for 4-aminooxy-4-morpholin-4-ylbutan-2-ol?
The canonical SMILES for 4-aminooxy-4-morpholin-4-ylbutan-2-ol is CC(O)CC(ON)N1CCOCC1.
What is the InChIKey of 4-aminooxy-4-morpholin-4-ylbutan-2-ol?
The InChIKey is XDUVLBAZHBJFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-7(11)6-8(13-9)10-2-4-12-5-3-10/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 4-aminooxy-4-morpholin-4-ylbutan-2-ol?
4-aminooxy-4-morpholin-4-ylbutan-2-ol has a molecular weight of 190.24 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxy-4-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 67040066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).