2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane

C11H22N2O — CID 117226563

IUPAC2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane
SMILESCC1CNC(C)(CC2CCCN2)OC1
InChIInChI=1S/C11H22N2O/c1-9-7-13-11(2,14-8-9)6-10-4-3-5-12-10/h9-10,12-13H,3-8H2,1-2H3
InChIKeyWPEWOIFJLFWNMG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.10
Rot. Bonds2

About 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane

2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane (PubChem CID 117226563) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane.

Molecular Properties

Compound Name2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane
PubChem CID117226563
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane
SMILESCC1CNC(C)(CC2CCCN2)OC1
InChIInChI=1S/C11H22N2O/c1-9-7-13-11(2,14-8-9)6-10-4-3-5-12-10/h9-10,12-13H,3-8H2,1-2H3
InChIKeyWPEWOIFJLFWNMG-UHFFFAOYSA-N
XLogP1.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine
CID 117228010
2-ethyl-2,5-dimethyl-1,3-oxazinane
CID 117226941
2,5-dimethyl-2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazinane;hydrochloride
CID 117226620
2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228013
2-[(1-ethylpiperidin-2-yl)methyl]-2,5-dimethyl-1,3-oxazinane
CID 117226635
(2S)-2-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 69341147
2,5-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazinane;hydrochloride
CID 117227212
2-[2-methyl-2-(piperidin-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169140
5-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010596
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227468
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
5-methyl-5-(piperidin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 117158959

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane?
The IUPAC name of 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane (CID 117226563) is 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane.
What is the SMILES notation for 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane?
The canonical SMILES for 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane is CC1CNC(C)(CC2CCCN2)OC1.
What is the InChIKey of 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane?
The InChIKey is WPEWOIFJLFWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-7-13-11(2,14-8-9)6-10-4-3-5-12-10/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane?
2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane has a molecular weight of 198.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane is sourced from PubChem (CID 117226563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).