6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine

C12H19NO — CID 89043976

IUPAC6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine
SMILESCC(C)(C)C1C=C2CNCOC2=CC1
InChIInChI=1S/C12H19NO/c1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11/h5-6,10,13H,4,7-8H2,1-3H3
InChIKeyGKHVZHIUJMWEIQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.44
Rot. Bonds

About 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine

6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine (PubChem CID 89043976) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine.

Molecular Properties

Compound Name6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine
PubChem CID89043976
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine
SMILESCC(C)(C)C1C=C2CNCOC2=CC1
InChIInChI=1S/C12H19NO/c1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11/h5-6,10,13H,4,7-8H2,1-3H3
InChIKeyGKHVZHIUJMWEIQ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine?
The IUPAC name of 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine (CID 89043976) is 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine.
What is the SMILES notation for 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine?
The canonical SMILES for 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine is CC(C)(C)C1C=C2CNCOC2=CC1.
What is the InChIKey of 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine?
The InChIKey is GKHVZHIUJMWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-4-5-11-9(6-10)7-13-8-14-11/h5-6,10,13H,4,7-8H2,1-3H3.
What are the key properties of 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine?
6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine has a molecular weight of 193.29 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,4,6,7-tetrahydro-2H-1,3-benzoxazine is sourced from PubChem (CID 89043976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).