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

C14H27NO2 — CID 62275833

IUPAC3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCC(C)CN(CC(C)C)CC1(C=O)CCOC1
InChIInChI=1S/C14H27NO2/c1-12(2)7-15(8-13(3)4)9-14(10-16)5-6-17-11-14/h10,12-13H,5-9,11H2,1-4H3
InChIKeyJQEHOSWOXUBSDN-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.21
Rot. Bonds7

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

3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62275833) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62275833
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCC(C)CN(CC(C)C)CC1(C=O)CCOC1
InChIInChI=1S/C14H27NO2/c1-12(2)7-15(8-13(3)4)9-14(10-16)5-6-17-11-14/h10,12-13H,5-9,11H2,1-4H3
InChIKeyJQEHOSWOXUBSDN-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde (CID 62275833) is 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde is CC(C)CN(CC(C)C)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is JQEHOSWOXUBSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)7-15(8-13(3)4)9-14(10-16)5-6-17-11-14/h10,12-13H,5-9,11H2,1-4H3.
What are the key properties of 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 241.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(2-methylpropyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62275833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).