3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde

C11H21NO2 — CID 62276558

IUPAC3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCCCN(C)CC1(C=O)CCOC1
InChIInChI=1S/C11H21NO2/c1-3-4-6-12(2)8-11(9-13)5-7-14-10-11/h9H,3-8,10H2,1-2H3
InChIKeyUFBYDSNBLGAITK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds6

About 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde

3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62276558) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62276558
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCCCN(C)CC1(C=O)CCOC1
InChIInChI=1S/C11H21NO2/c1-3-4-6-12(2)8-11(9-13)5-7-14-10-11/h9H,3-8,10H2,1-2H3
InChIKeyUFBYDSNBLGAITK-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[butyl(methyl)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

Related Compounds

3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63741857
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276953
1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62278291
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277927
3-[[furan-3-ylmethyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277189
3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde
CID 62277191
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
3-[(4-fluoro-N-methylanilino)methyl]oxolane-3-carbaldehyde
CID 55050591
3-[[methyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63739908
4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
CID 62390920
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62390393

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde (CID 62276558) is 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde is CCCCN(C)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is UFBYDSNBLGAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-6-12(2)8-11(9-13)5-7-14-10-11/h9H,3-8,10H2,1-2H3.
What are the key properties of 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde?
3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 199.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62276558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).