2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane

C12H24N2O — CID 117226461

IUPAC2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane
SMILESCN1CCCC1C1(C)NCC(C)(C)CO1
InChIInChI=1S/C12H24N2O/c1-11(2)8-13-12(3,15-9-11)10-6-5-7-14(10)4/h10,13H,5-9H2,1-4H3
InChIKeyQXSXKZCFTRKAAX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.44
Rot. Bonds1

About 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane

2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane (PubChem CID 117226461) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane.

Molecular Properties

Compound Name2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane
PubChem CID117226461
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane
SMILESCN1CCCC1C1(C)NCC(C)(C)CO1
InChIInChI=1S/C12H24N2O/c1-11(2)8-13-12(3,15-9-11)10-6-5-7-14(10)4/h10,13H,5-9H2,1-4H3
InChIKeyQXSXKZCFTRKAAX-UHFFFAOYSA-N
XLogP1.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane?
The IUPAC name of 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane (CID 117226461) is 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane.
What is the SMILES notation for 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane?
The canonical SMILES for 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane is CN1CCCC1C1(C)NCC(C)(C)CO1.
What is the InChIKey of 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane?
The InChIKey is QXSXKZCFTRKAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2)8-13-12(3,15-9-11)10-6-5-7-14(10)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane?
2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane has a molecular weight of 212.34 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane is sourced from PubChem (CID 117226461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).