5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride

C11H17ClN2O — CID 117226776

IUPAC5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(c2ccccn2)OC1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-11(2)7-13-10(14-8-11)9-5-3-4-6-12-9;/h3-6,10,13H,7-8H2,1-2H3;1H
InChIKeyNWASIFKMWRSYDU-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.15
Rot. Bonds1

About 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride

5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride (PubChem CID 117226776) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride
PubChem CID117226776
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(c2ccccn2)OC1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-11(2)7-13-10(14-8-11)9-5-3-4-6-12-9;/h3-6,10,13H,7-8H2,1-2H3;1H
InChIKeyNWASIFKMWRSYDU-UHFFFAOYSA-N
XLogP2.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,5-dimethyl-1,3-oxazinan-2-yl)phenol;hydrochloride
CID 117227044
5,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
CID 117227011
2,5,5-trimethyl-2-pyridin-2-yl-1,3-oxazinane
CID 117226779
2-(2,2-dimethylpiperidin-4-yl)pyridine
CID 117258212
(2R)-2-pyridin-2-yl-2,3-dihydro-1,3-oxazole
CID 98070956
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
CID 70432707
CID 70432707
4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
CID 117228480
3-methyl-2-pyridin-2-yl-1,3-oxazolidine
CID 3031479
2-methyl-5-pyridin-2-yl-1,3-oxazolidine
CID 82280272
sodium;5,5-dimethyl-2-pyridin-2-ylcyclohexane-1,3-dione;hydride
CID 173406675
2-(2,5-dihydro-1H-pyrrol-2-yl)pyridine
CID 54394800

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride?
The IUPAC name of 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride (CID 117226776) is 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride is CC1(C)CNC(c2ccccn2)OC1.Cl.
What is the InChIKey of 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride?
The InChIKey is NWASIFKMWRSYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-11(2)7-13-10(14-8-11)9-5-3-4-6-12-9;/h3-6,10,13H,7-8H2,1-2H3;1H.
What are the key properties of 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride?
5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-pyridin-2-yl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).