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

C13H25NO3 — CID 62277191

IUPAC3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCC(CC)N(CCO)CC1(C=O)CCOC1
InChIInChI=1S/C13H25NO3/c1-3-12(4-2)14(6-7-15)9-13(10-16)5-8-17-11-13/h10,12,15H,3-9,11H2,1-2H3
InChIKeyNDRUNFJFUWMHPS-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.07
Rot. Bonds8

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

3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde (PubChem CID 62277191) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde
PubChem CID62277191
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde
SMILESCCC(CC)N(CCO)CC1(C=O)CCOC1
InChIInChI=1S/C13H25NO3/c1-3-12(4-2)14(6-7-15)9-13(10-16)5-8-17-11-13/h10,12,15H,3-9,11H2,1-2H3
InChIKeyNDRUNFJFUWMHPS-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-hydroxyethyl(pentan-3-yl)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-[[2-hydroxyethyl(propan-2-yl)amino]methyl]oxane-3-carbaldehyde
CID 63742041
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63741331
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276953
2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277416
3-[[methyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63739908
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carbaldehyde
CID 107486422
3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276558
4-[[bis(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391102
2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 63739818
1-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212496
2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol
CID 62392902

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde (CID 62277191) is 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde is CCC(CC)N(CCO)CC1(C=O)CCOC1.
What is the InChIKey of 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde?
The InChIKey is NDRUNFJFUWMHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-12(4-2)14(6-7-15)9-13(10-16)5-8-17-11-13/h10,12,15H,3-9,11H2,1-2H3.
What are the key properties of 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde?
3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde has a molecular weight of 243.35 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 62277191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).