3-benzyl-6,6-dimethyl-1,3-oxazinane

C13H19NO — CID 129106291

IUPAC3-benzyl-6,6-dimethyl-1,3-oxazinane
SMILESCC1(C)CCN(Cc2ccccc2)CO1
InChIInChI=1S/C13H19NO/c1-13(2)8-9-14(11-15-13)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyDDNFCQKBLIUAFN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.64
Rot. Bonds2

About 3-benzyl-6,6-dimethyl-1,3-oxazinane

3-benzyl-6,6-dimethyl-1,3-oxazinane (PubChem CID 129106291) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-benzyl-6,6-dimethyl-1,3-oxazinane.

Molecular Properties

Compound Name3-benzyl-6,6-dimethyl-1,3-oxazinane
PubChem CID129106291
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-benzyl-6,6-dimethyl-1,3-oxazinane
SMILESCC1(C)CCN(Cc2ccccc2)CO1
InChIInChI=1S/C13H19NO/c1-13(2)8-9-14(11-15-13)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyDDNFCQKBLIUAFN-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6,6-dimethyl-1,3-oxazinane?
The IUPAC name of 3-benzyl-6,6-dimethyl-1,3-oxazinane (CID 129106291) is 3-benzyl-6,6-dimethyl-1,3-oxazinane.
What is the SMILES notation for 3-benzyl-6,6-dimethyl-1,3-oxazinane?
The canonical SMILES for 3-benzyl-6,6-dimethyl-1,3-oxazinane is CC1(C)CCN(Cc2ccccc2)CO1.
What is the InChIKey of 3-benzyl-6,6-dimethyl-1,3-oxazinane?
The InChIKey is DDNFCQKBLIUAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)8-9-14(11-15-13)10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 3-benzyl-6,6-dimethyl-1,3-oxazinane?
3-benzyl-6,6-dimethyl-1,3-oxazinane has a molecular weight of 205.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6,6-dimethyl-1,3-oxazinane is sourced from PubChem (CID 129106291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).