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

C11H22ClNO — CID 117227184

IUPAC2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride
SMILESCC1CNC(C2CCCCC2)OC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;/h9-12H,2-8H2,1H3;1H
InChIKeyUHLKBJDWKQYUFX-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.57
Rot. Bonds1

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

2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride (PubChem CID 117227184) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride
PubChem CID117227184
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride
SMILESCC1CNC(C2CCCCC2)OC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;/h9-12H,2-8H2,1H3;1H
InChIKeyUHLKBJDWKQYUFX-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-piperidin-3-yl-1,3-oxazinane
CID 117226391
5-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazinane
CID 117226185
5-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazinane
CID 117226465
2,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226965
2-cyclohexyl-1,3-oxazolidine
CID 117225833
2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227188
CID 157385878
CID 157385878
(2R,4S)-2-cyclohexyl-4-propan-2-yl-1,3-oxazolidine
CID 131847789
2-cycloheptyl-1,3-oxazepane
CID 175475084
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227172
1-cyclodecyl-6-methylcycloundecane
CID 123480440

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride (CID 117227184) is 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride is CC1CNC(C2CCCCC2)OC1.Cl.
What is the InChIKey of 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride?
The InChIKey is UHLKBJDWKQYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;/h9-12H,2-8H2,1H3;1H.
What are the key properties of 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride?
2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117227184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).