ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine

C11H23NO — CID 143529606

IUPACethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
SMILESCC.CC1=C(C)OCC(C)(C)CN1
InChIInChI=1S/C9H17NO.C2H6/c1-7-8(2)11-6-9(3,4)5-10-7;1-2/h10H,5-6H2,1-4H3;1-2H3
InChIKeyZLBDWLFEEOSFFD-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.91
Rot. Bonds

About ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine

ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine (PubChem CID 143529606) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine.

Molecular Properties

Compound Nameethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
PubChem CID143529606
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
SMILESCC.CC1=C(C)OCC(C)(C)CN1
InChIInChI=1S/C9H17NO.C2H6/c1-7-8(2)11-6-9(3,4)5-10-7;1-2/h10H,5-6H2,1-4H3;1-2H3
InChIKeyZLBDWLFEEOSFFD-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Di(propan-2-yl)-4,5,6,7-tetrahydro-1,4-oxazepine
CID 138703350
2,3-Dimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 143188807
2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine
CID 143529597
(E)-3-propoxy-N-propylbut-2-en-2-amine
CID 145202328
2,3,5-Trimethyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 167142299
2-Tert-butyl-3-propan-2-yl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 171431843
2,3-Ditert-butyl-4,5,6,7-tetrahydro-1,4-oxazepine
CID 171431875

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine?
The IUPAC name of ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine (CID 143529606) is ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine.
What is the SMILES notation for ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine?
The canonical SMILES for ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine is CC.CC1=C(C)OCC(C)(C)CN1.
What is the InChIKey of ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine?
The InChIKey is ZLBDWLFEEOSFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-7-8(2)11-6-9(3,4)5-10-7;1-2/h10H,5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine?
ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine has a molecular weight of 185.31 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,6,6-tetramethyl-5,7-dihydro-4H-1,4-oxazepine is sourced from PubChem (CID 143529606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).