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

C13H21NO — CID 143686063

IUPAC8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane
SMILESCC.CC1(C)C=CC=C2CNCOC2=C1
InChIInChI=1S/C11H15NO.C2H6/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11;1-2/h3-6,12H,7-8H2,1-2H3;1-2H3
InChIKeyYBIIAELZXXYEQE-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.00
Rot. Bonds

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

8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane (PubChem CID 143686063) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane.

Molecular Properties

Compound Name8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane
PubChem CID143686063
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane
SMILESCC.CC1(C)C=CC=C2CNCOC2=C1
InChIInChI=1S/C11H15NO.C2H6/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11;1-2/h3-6,12H,7-8H2,1-2H3;1-2H3
InChIKeyYBIIAELZXXYEQE-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane?
The IUPAC name of 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane (CID 143686063) is 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane.
What is the SMILES notation for 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane?
The canonical SMILES for 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane is CC.CC1(C)C=CC=C2CNCOC2=C1.
What is the InChIKey of 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane?
The InChIKey is YBIIAELZXXYEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-11(2)5-3-4-9-7-12-8-13-10(9)6-11;1-2/h3-6,12H,7-8H2,1-2H3;1-2H3.
What are the key properties of 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane?
8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane has a molecular weight of 207.32 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3,4-dihydro-2H-cyclohepta[e][1,3]oxazine;ethane is sourced from PubChem (CID 143686063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).