4-(oxan-4-ylmethylamino)oxolan-3-ol

C10H19NO3 — CID 63727528

IUPAC4-(oxan-4-ylmethylamino)oxolan-3-ol
SMILESOC1COCC1NCC1CCOCC1
InChIInChI=1S/C10H19NO3/c12-10-7-14-6-9(10)11-5-8-1-3-13-4-2-8/h8-12H,1-7H2
InChIKeyUVNCJNLZBLLTBH-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.24
Rot. Bonds3

About 4-(oxan-4-ylmethylamino)oxolan-3-ol

4-(oxan-4-ylmethylamino)oxolan-3-ol (PubChem CID 63727528) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylamino)oxolan-3-ol.

Molecular Properties

Compound Name4-(oxan-4-ylmethylamino)oxolan-3-ol
PubChem CID63727528
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(oxan-4-ylmethylamino)oxolan-3-ol
SMILESOC1COCC1NCC1CCOCC1
InChIInChI=1S/C10H19NO3/c12-10-7-14-6-9(10)11-5-8-1-3-13-4-2-8/h8-12H,1-7H2
InChIKeyUVNCJNLZBLLTBH-UHFFFAOYSA-N
XLogP-0.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethylamino)oxolan-3-ol?
The IUPAC name of 4-(oxan-4-ylmethylamino)oxolan-3-ol (CID 63727528) is 4-(oxan-4-ylmethylamino)oxolan-3-ol.
What is the SMILES notation for 4-(oxan-4-ylmethylamino)oxolan-3-ol?
The canonical SMILES for 4-(oxan-4-ylmethylamino)oxolan-3-ol is OC1COCC1NCC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylmethylamino)oxolan-3-ol?
The InChIKey is UVNCJNLZBLLTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c12-10-7-14-6-9(10)11-5-8-1-3-13-4-2-8/h8-12H,1-7H2.
What are the key properties of 4-(oxan-4-ylmethylamino)oxolan-3-ol?
4-(oxan-4-ylmethylamino)oxolan-3-ol has a molecular weight of 201.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethylamino)oxolan-3-ol is sourced from PubChem (CID 63727528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).