4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C16H31NO2 — CID 79933991

IUPAC4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC(N(C)CC1C(=O)C(C)(C)OC1(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-11(14(2,3)4)17(9)10-12-13(18)16(7,8)19-15(12,5)6/h11-12H,10H2,1-9H3
InChIKeyHNZIPFBHXVBPEX-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds3

About 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79933991) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79933991
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCC(N(C)CC1C(=O)C(C)(C)OC1(C)C)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-11(14(2,3)4)17(9)10-12-13(18)16(7,8)19-15(12,5)6/h11-12H,10H2,1-9H3
InChIKeyHNZIPFBHXVBPEX-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79933991) is 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CC(N(C)CC1C(=O)C(C)(C)OC1(C)C)C(C)(C)C.
What is the InChIKey of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is HNZIPFBHXVBPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-11(14(2,3)4)17(9)10-12-13(18)16(7,8)19-15(12,5)6/h11-12H,10H2,1-9H3.
What are the key properties of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 269.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79933991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).