1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one

C11H21NO2 — CID 166842958

IUPAC1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one
SMILESCC1(C)N[C@H](C(=O)C(C)(C)C)CCO1
InChIInChI=1S/C11H21NO2/c1-10(2,3)9(13)8-6-7-14-11(4,5)12-8/h8,12H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyTUJXWSLFWJERNY-QMMMGPOBSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds1

About 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one

1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 166842958) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one
PubChem CID166842958
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one
SMILESCC1(C)N[C@H](C(=O)C(C)(C)C)CCO1
InChIInChI=1S/C11H21NO2/c1-10(2,3)9(13)8-6-7-14-11(4,5)12-8/h8,12H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyTUJXWSLFWJERNY-QMMMGPOBSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one (CID 166842958) is 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one is CC1(C)N[C@H](C(=O)C(C)(C)C)CCO1.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is TUJXWSLFWJERNY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)9(13)8-6-7-14-11(4,5)12-8/h8,12H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one?
1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-1,3-oxazinan-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 166842958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).