4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C15H29NO3 — CID 79929132

IUPAC4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCN(CC1C(=O)C(C)(C)OC1(C)C)CC(C)(C)O
InChIInChI=1S/C15H29NO3/c1-8-16(10-13(2,3)18)9-11-12(17)15(6,7)19-14(11,4)5/h11,18H,8-10H2,1-7H3
InChIKeyYJFXQDHENKKDMX-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.85
Rot. Bonds5

About 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79929132) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79929132
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCN(CC1C(=O)C(C)(C)OC1(C)C)CC(C)(C)O
InChIInChI=1S/C15H29NO3/c1-8-16(10-13(2,3)18)9-11-12(17)15(6,7)19-14(11,4)5/h11,18H,8-10H2,1-7H3
InChIKeyYJFXQDHENKKDMX-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one 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 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79929132) is 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CCN(CC1C(=O)C(C)(C)OC1(C)C)CC(C)(C)O.
What is the InChIKey of 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is YJFXQDHENKKDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-8-16(10-13(2,3)18)9-11-12(17)15(6,7)19-14(11,4)5/h11,18H,8-10H2,1-7H3.
What are the key properties of 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 271.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79929132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).