[5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol

C9H19NO2 — CID 177027949

IUPAC[5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol
SMILESCCNCCC1CC(CO)CO1
InChIInChI=1S/C9H19NO2/c1-2-10-4-3-9-5-8(6-11)7-12-9/h8-11H,2-7H2,1H3
InChIKeySJOXPCVHKNADFV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.38
Rot. Bonds5

About [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol

[5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol (PubChem CID 177027949) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol
PubChem CID177027949
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name[5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol
SMILESCCNCCC1CC(CO)CO1
InChIInChI=1S/C9H19NO2/c1-2-10-4-3-9-5-8(6-11)7-12-9/h8-11H,2-7H2,1H3
InChIKeySJOXPCVHKNADFV-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol?
The IUPAC name of [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol (CID 177027949) is [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol.
What is the SMILES notation for [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol?
The canonical SMILES for [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol is CCNCCC1CC(CO)CO1.
What is the InChIKey of [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol?
The InChIKey is SJOXPCVHKNADFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-10-4-3-9-5-8(6-11)7-12-9/h8-11H,2-7H2,1H3.
What are the key properties of [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol?
[5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol has a molecular weight of 173.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(ethylamino)ethyl]oxolan-3-yl]methanol is sourced from PubChem (CID 177027949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).