2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one

C16H29NO3 — CID 79933579

IUPAC2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one
SMILESCN(CC1CCOCC1)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H29NO3/c1-15(2)13(14(18)16(3,4)20-15)11-17(5)10-12-6-8-19-9-7-12/h12-13H,6-11H2,1-5H3
InChIKeyQAVPGKXUDVMQDW-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.12
Rot. Bonds4

About 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one (PubChem CID 79933579) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one
PubChem CID79933579
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one
SMILESCN(CC1CCOCC1)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H29NO3/c1-15(2)13(14(18)16(3,4)20-15)11-17(5)10-12-6-8-19-9-7-12/h12-13H,6-11H2,1-5H3
InChIKeyQAVPGKXUDVMQDW-UHFFFAOYSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-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

Related Compounds

4-[[cyclohexylmethyl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933682
2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one
CID 79933120
2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-ol
CID 79929474
2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one
CID 81074760
4-[[bis(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933125
2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 79848513
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79912579
4-[[3-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79929370
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933569
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one (CID 79933579) is 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one is CN(CC1CCOCC1)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one?
The InChIKey is QAVPGKXUDVMQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2)13(14(18)16(3,4)20-15)11-17(5)10-12-6-8-19-9-7-12/h12-13H,6-11H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one has a molecular weight of 283.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79933579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).