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

C16H24N2O2 — CID 79933236

IUPAC2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one
SMILESCN(Cc1ccccn1)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H24N2O2/c1-15(2)13(14(19)16(3,4)20-15)11-18(5)10-12-8-6-7-9-17-12/h6-9,13H,10-11H2,1-5H3
InChIKeyDLRREZARJDCEIY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds4

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

2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one (PubChem CID 79933236) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one
PubChem CID79933236
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one
SMILESCN(Cc1ccccn1)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H24N2O2/c1-15(2)13(14(19)16(3,4)20-15)11-18(5)10-12-8-6-7-9-17-12/h6-9,13H,10-11H2,1-5H3
InChIKeyDLRREZARJDCEIY-UHFFFAOYSA-N
XLogP2.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-ol
CID 79930097
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535
N-methyl-1-(oxiran-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43564926
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 115239884
2-(1,3-dioxan-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 66475134
N-methyl-N-(pyridin-2-ylmethyl)-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 94408610
3-[[4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 70312883
2-methyl-4-[methyl(pyridin-2-ylmethyl)amino]butan-2-ol
CID 79360655
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N,N-dimethyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 75500442

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one (CID 79933236) is 2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one is CN(Cc1ccccn1)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one?
The InChIKey is DLRREZARJDCEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2)13(14(19)16(3,4)20-15)11-18(5)10-12-8-6-7-9-17-12/h6-9,13H,10-11H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one has a molecular weight of 276.38 g/mol, XLogP of 2.29, 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(pyridin-2-ylmethyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79933236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).