4-[(2-methoxyethylamino)methyl]oxan-4-ol

C9H19NO3 — CID 62773177

IUPAC4-[(2-methoxyethylamino)methyl]oxan-4-ol
SMILESCOCCNCC1(O)CCOCC1
InChIInChI=1S/C9H19NO3/c1-12-7-4-10-8-9(11)2-5-13-6-3-9/h10-11H,2-8H2,1H3
InChIKeyNQJHTTNSGPXYPX-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.24
Rot. Bonds5

About 4-[(2-methoxyethylamino)methyl]oxan-4-ol

4-[(2-methoxyethylamino)methyl]oxan-4-ol (PubChem CID 62773177) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]oxan-4-ol
PubChem CID62773177
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-[(2-methoxyethylamino)methyl]oxan-4-ol
SMILESCOCCNCC1(O)CCOCC1
InChIInChI=1S/C9H19NO3/c1-12-7-4-10-8-9(11)2-5-13-6-3-9/h10-11H,2-8H2,1H3
InChIKeyNQJHTTNSGPXYPX-UHFFFAOYSA-N
XLogP-0.24
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]oxan-4-ol (CID 62773177) is 4-[(2-methoxyethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]oxan-4-ol is COCCNCC1(O)CCOCC1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]oxan-4-ol?
The InChIKey is NQJHTTNSGPXYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-12-7-4-10-8-9(11)2-5-13-6-3-9/h10-11H,2-8H2,1H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]oxan-4-ol?
4-[(2-methoxyethylamino)methyl]oxan-4-ol has a molecular weight of 189.25 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 62773177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).