3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde

C11H21NO3 — CID 62276040

IUPAC3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCCN(CCO)CC1(C=O)CCOC1
InChIInChI=1S/C11H21NO3/c1-2-4-12(5-6-13)8-11(9-14)3-7-15-10-11/h9,13H,2-8,10H2,1H3
InChIKeyJBVUKWWRTQQGAF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.30
Rot. Bonds7

About 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde

3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62276040) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62276040
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCCN(CCO)CC1(C=O)CCOC1
InChIInChI=1S/C11H21NO3/c1-2-4-12(5-6-13)8-11(9-14)3-7-15-10-11/h9,13H,2-8,10H2,1H3
InChIKeyJBVUKWWRTQQGAF-UHFFFAOYSA-N
XLogP0.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde (CID 62276040) is 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde is CCCN(CCO)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is JBVUKWWRTQQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-4-12(5-6-13)8-11(9-14)3-7-15-10-11/h9,13H,2-8,10H2,1H3.
What are the key properties of 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 215.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(propyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62276040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).