2-(cyclohexylmethyl)-2H-1,4-oxazine

C11H17NO — CID 91254717

IUPAC2-(cyclohexylmethyl)-2H-1,4-oxazine
SMILESC1=COC(CC2CCCCC2)C=N1
InChIInChI=1S/C11H17NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-11H,1-5,8H2
InChIKeyZRDHICPDNZBCJJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.90
Rot. Bonds2

About 2-(cyclohexylmethyl)-2H-1,4-oxazine

2-(cyclohexylmethyl)-2H-1,4-oxazine (PubChem CID 91254717) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2H-1,4-oxazine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2H-1,4-oxazine
PubChem CID91254717
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(cyclohexylmethyl)-2H-1,4-oxazine
SMILESC1=COC(CC2CCCCC2)C=N1
InChIInChI=1S/C11H17NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-11H,1-5,8H2
InChIKeyZRDHICPDNZBCJJ-UHFFFAOYSA-N
XLogP2.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2H-1,4-oxazine?
The IUPAC name of 2-(cyclohexylmethyl)-2H-1,4-oxazine (CID 91254717) is 2-(cyclohexylmethyl)-2H-1,4-oxazine.
What is the SMILES notation for 2-(cyclohexylmethyl)-2H-1,4-oxazine?
The canonical SMILES for 2-(cyclohexylmethyl)-2H-1,4-oxazine is C1=COC(CC2CCCCC2)C=N1.
What is the InChIKey of 2-(cyclohexylmethyl)-2H-1,4-oxazine?
The InChIKey is ZRDHICPDNZBCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h6-7,9-11H,1-5,8H2.
What are the key properties of 2-(cyclohexylmethyl)-2H-1,4-oxazine?
2-(cyclohexylmethyl)-2H-1,4-oxazine has a molecular weight of 179.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2H-1,4-oxazine is sourced from PubChem (CID 91254717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).