3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde

C12H23NO2 — CID 62276186

IUPAC3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCN(CC(C)C)CC1(C=O)CCOC1
InChIInChI=1S/C12H23NO2/c1-4-13(7-11(2)3)8-12(9-14)5-6-15-10-12/h9,11H,4-8,10H2,1-3H3
InChIKeyDSQWNFNOYHGRAU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.57
Rot. Bonds6

About 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde

3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62276186) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62276186
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCN(CC(C)C)CC1(C=O)CCOC1
InChIInChI=1S/C12H23NO2/c1-4-13(7-11(2)3)8-12(9-14)5-6-15-10-12/h9,11H,4-8,10H2,1-3H3
InChIKeyDSQWNFNOYHGRAU-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde (CID 62276186) is 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde is CCN(CC(C)C)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is DSQWNFNOYHGRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-13(7-11(2)3)8-12(9-14)5-6-15-10-12/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 213.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62276186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).