2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride

C12H24ClNO — CID 117227188

IUPAC2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(C2CCCCC2)OC1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyXKTNEDUXUNXSRT-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.96
Rot. Bonds1

About 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride

2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride (PubChem CID 117227188) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
PubChem CID117227188
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCC1(C)CNC(C2CCCCC2)OC1.Cl
InChIInChI=1S/C12H23NO.ClH/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10;/h10-11,13H,3-9H2,1-2H3;1H
InChIKeyXKTNEDUXUNXSRT-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227172
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane
CID 117227173
4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
CID 117226211
2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226246
5,5-dimethyl-2-(oxolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226426
5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226442
2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226470
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
2-cyclopentyl-5,5-dimethyl-1,3-oxazolidine
CID 117229147
2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride
CID 117227184
2-cyclohexyl-1,3-oxazolidine
CID 117225833
2-cyclopentyl-4,4-dimethylpyrrolidine
CID 138485504

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride (CID 117227188) is 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride is CC1(C)CNC(C2CCCCC2)OC1.Cl.
What is the InChIKey of 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The InChIKey is XKTNEDUXUNXSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.ClH/c1-12(2)8-13-11(14-9-12)10-6-4-3-5-7-10;/h10-11,13H,3-9H2,1-2H3;1H.
What are the key properties of 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride?
2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride has a molecular weight of 233.78 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117227188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).