2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one

C15H29NO3 — CID 81074760

IUPAC2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one
SMILESCC(C)OCCN(C)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO3/c1-11(2)18-9-8-16(7)10-12-13(17)15(5,6)19-14(12,3)4/h11-12H,8-10H2,1-7H3
InChIKeyWMVDGHFIMRZBTI-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.12
Rot. Bonds6

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

2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one (PubChem CID 81074760) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one
PubChem CID81074760
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one
SMILESCC(C)OCCN(C)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO3/c1-11(2)18-9-8-16(7)10-12-13(17)15(5,6)19-14(12,3)4/h11-12H,8-10H2,1-7H3
InChIKeyWMVDGHFIMRZBTI-UHFFFAOYSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one with MolForge

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Related Compounds

4-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 107486377
4-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 107486415
4-[[2-Methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79912465
4-[[1-Cyclopropylethyl(2-methoxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79912579
2,2,5,5-Tetramethyl-4-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-one
CID 79912814
4-[[Cyclohexyl(2-hydroxyethyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79913010
4-[[2-Methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79913932
4-[[2-Methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79913939
4-[[(2-Hydroxy-2-methylpropyl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79929043
4-[[Ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79929132
4-[[Ethyl(2-methylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79929213
4-[[(3-Hydroxycyclobutyl)methyl-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79929457

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one (CID 81074760) is 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one is CC(C)OCCN(C)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one?
The InChIKey is WMVDGHFIMRZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(2)18-9-8-16(7)10-12-13(17)15(5,6)19-14(12,3)4/h11-12H,8-10H2,1-7H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one has a molecular weight of 271.40 g/mol, XLogP of 2.12, 6 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(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 81074760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).