4-[(1-hydroxyethylamino)methyl]oxan-4-ol

C8H17NO3 — CID 134356368

IUPAC4-[(1-hydroxyethylamino)methyl]oxan-4-ol
SMILESCC(O)NCC1(O)CCOCC1
InChIInChI=1S/C8H17NO3/c1-7(10)9-6-8(11)2-4-12-5-3-8/h7,9-11H,2-6H2,1H3
InChIKeyODNGVIRDTHXTAD-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.54
Rot. Bonds3

About 4-[(1-hydroxyethylamino)methyl]oxan-4-ol

4-[(1-hydroxyethylamino)methyl]oxan-4-ol (PubChem CID 134356368) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-[(1-hydroxyethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(1-hydroxyethylamino)methyl]oxan-4-ol
PubChem CID134356368
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-[(1-hydroxyethylamino)methyl]oxan-4-ol
SMILESCC(O)NCC1(O)CCOCC1
InChIInChI=1S/C8H17NO3/c1-7(10)9-6-8(11)2-4-12-5-3-8/h7,9-11H,2-6H2,1H3
InChIKeyODNGVIRDTHXTAD-UHFFFAOYSA-N
XLogP-0.54
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxyethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(1-hydroxyethylamino)methyl]oxan-4-ol (CID 134356368) is 4-[(1-hydroxyethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(1-hydroxyethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(1-hydroxyethylamino)methyl]oxan-4-ol is CC(O)NCC1(O)CCOCC1.
What is the InChIKey of 4-[(1-hydroxyethylamino)methyl]oxan-4-ol?
The InChIKey is ODNGVIRDTHXTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(10)9-6-8(11)2-4-12-5-3-8/h7,9-11H,2-6H2,1H3.
What are the key properties of 4-[(1-hydroxyethylamino)methyl]oxan-4-ol?
4-[(1-hydroxyethylamino)methyl]oxan-4-ol has a molecular weight of 175.23 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxyethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 134356368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).