4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane

C13H21NO — CID 144790360

IUPAC4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
SMILESCC.CC1=CC2=C(CC=C1)N(C)CCO2
InChIInChI=1S/C11H15NO.C2H6/c1-9-4-3-5-10-11(8-9)13-7-6-12(10)2;1-2/h3-4,8H,5-7H2,1-2H3;1-2H3
InChIKeyCGSXAZDHRKRUQK-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.09
Rot. Bonds

About 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane

4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane (PubChem CID 144790360) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane.

Molecular Properties

Compound Name4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
PubChem CID144790360
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
SMILESCC.CC1=CC2=C(CC=C1)N(C)CCO2
InChIInChI=1S/C11H15NO.C2H6/c1-9-4-3-5-10-11(8-9)13-7-6-12(10)2;1-2/h3-4,8H,5-7H2,1-2H3;1-2H3
InChIKeyCGSXAZDHRKRUQK-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane?
The IUPAC name of 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane (CID 144790360) is 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane.
What is the SMILES notation for 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane?
The canonical SMILES for 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane is CC.CC1=CC2=C(CC=C1)N(C)CCO2.
What is the InChIKey of 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane?
The InChIKey is CGSXAZDHRKRUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-9-4-3-5-10-11(8-9)13-7-6-12(10)2;1-2/h3-4,8H,5-7H2,1-2H3;1-2H3.
What are the key properties of 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane?
4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane has a molecular weight of 207.32 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane is sourced from PubChem (CID 144790360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).