2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine

C13H25NO — CID 91465980

IUPAC2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine
SMILESCCCC(CC)CC1=NC(C)(C)CCO1
InChIInChI=1S/C13H25NO/c1-5-7-11(6-2)10-12-14-13(3,4)8-9-15-12/h11H,5-10H2,1-4H3
InChIKeyLJKVMTXJVOWJLN-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine

2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine (PubChem CID 91465980) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine
PubChem CID91465980
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine
SMILESCCCC(CC)CC1=NC(C)(C)CCO1
InChIInChI=1S/C13H25NO/c1-5-7-11(6-2)10-12-14-13(3,4)8-9-15-12/h11H,5-10H2,1-4H3
InChIKeyLJKVMTXJVOWJLN-UHFFFAOYSA-N
XLogP3.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine (CID 91465980) is 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine is CCCC(CC)CC1=NC(C)(C)CCO1.
What is the InChIKey of 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine?
The InChIKey is LJKVMTXJVOWJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-11(6-2)10-12-14-13(3,4)8-9-15-12/h11H,5-10H2,1-4H3.
What are the key properties of 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine?
2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine has a molecular weight of 211.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpentyl)-4,4-dimethyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 91465980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).