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

C14H25NO3 — CID 82744002

IUPAC2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one
SMILESCN(CC1C(=O)C(C)(C)OC1(C)C)C1CCOC1
InChIInChI=1S/C14H25NO3/c1-13(2)11(12(16)14(3,4)18-13)8-15(5)10-6-7-17-9-10/h10-11H,6-9H2,1-5H3
InChIKeyCFRSQXWBKPWAIZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.48
Rot. Bonds3

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

2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one (PubChem CID 82744002) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one
PubChem CID82744002
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one
SMILESCN(CC1C(=O)C(C)(C)OC1(C)C)C1CCOC1
InChIInChI=1S/C14H25NO3/c1-13(2)11(12(16)14(3,4)18-13)8-15(5)10-6-7-17-9-10/h10-11H,6-9H2,1-5H3
InChIKeyCFRSQXWBKPWAIZ-UHFFFAOYSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]oxolan-3-one
CID 79933579
2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-ol
CID 82754940
4-[[4-(dimethylamino)piperidin-1-yl]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79934553
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
CID 79933991
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163
2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one
CID 79933120
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
2,2-dimethyl-6-[[methyl(oxan-4-yl)amino]methyl]cyclohexan-1-one
CID 79852982
N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
CID 80690224
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82743146
[1-[[methyl(oxolan-3-yl)amino]methyl]cyclopropyl]methanethiol
CID 82744739
N-[(3-aminocyclopentyl)methyl]-N-methyloxolan-3-amine
CID 82739732

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one (CID 82744002) is 2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one is CN(CC1C(=O)C(C)(C)OC1(C)C)C1CCOC1.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one?
The InChIKey is CFRSQXWBKPWAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2)11(12(16)14(3,4)18-13)8-15(5)10-6-7-17-9-10/h10-11H,6-9H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(oxolan-3-yl)amino]methyl]oxolan-3-one has a molecular weight of 255.36 g/mol, XLogP of 1.48, 3 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(oxolan-3-yl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 82744002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).