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

C12H25ClN2O — CID 117226180

IUPAC2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride
SMILESCN1CCC(C2(C)NCC(C)(C)CO2)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-11(2)8-13-12(3,15-9-11)10-5-6-14(4)7-10;/h10,13H,5-9H2,1-4H3;1H
InChIKeyVLGJCOWFYFRDLR-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.72
Rot. Bonds1

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

2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride (PubChem CID 117226180) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride
PubChem CID117226180
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride
SMILESCN1CCC(C2(C)NCC(C)(C)CO2)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-11(2)8-13-12(3,15-9-11)10-5-6-14(4)7-10;/h10,13H,5-9H2,1-4H3;1H
InChIKeyVLGJCOWFYFRDLR-UHFFFAOYSA-N
XLogP1.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,5-trimethyl-2-piperidin-4-yl-1,3-oxazinane;hydrochloride
CID 117226234
2,5,5-trimethyl-2-(thian-4-yl)-1,3-oxazinane;hydrochloride
CID 117226220
2,4,4-trimethyl-2-(1-methylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227847
2,5,5-trimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane
CID 117226461
2,4-dimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227619
3-(2,5,5-trimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide;hydrochloride
CID 117226380
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
2,4,4-trimethyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine
CID 117227640
3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine
CID 116870782
2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
CID 117226586
2,4,4-trimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117227791
2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
CID 117227736

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride?
The IUPAC name of 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride (CID 117226180) is 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride is CN1CCC(C2(C)NCC(C)(C)CO2)C1.Cl.
What is the InChIKey of 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride?
The InChIKey is VLGJCOWFYFRDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-11(2)8-13-12(3,15-9-11)10-5-6-14(4)7-10;/h10,13H,5-9H2,1-4H3;1H.
What are the key properties of 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride?
2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride has a molecular weight of 248.80 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 2,5,5-trimethyl-2-(1-methylpyrrolidin-3-yl)-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).