6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C19H29NO — CID 115825626

IUPAC6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCC(C)(C)C1CCC2Oc3c(C)cc(C)cc3NC2C1
InChIInChI=1S/C19H29NO/c1-6-19(4,5)14-7-8-17-15(11-14)20-16-10-12(2)9-13(3)18(16)21-17/h9-10,14-15,17,20H,6-8,11H2,1-5H3
InChIKeyPTWBVEOUKIDDBA-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.08
Rot. Bonds2

About 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 115825626) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID115825626
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCC(C)(C)C1CCC2Oc3c(C)cc(C)cc3NC2C1
InChIInChI=1S/C19H29NO/c1-6-19(4,5)14-7-8-17-15(11-14)20-16-10-12(2)9-13(3)18(16)21-17/h9-10,14-15,17,20H,6-8,11H2,1-5H3
InChIKeyPTWBVEOUKIDDBA-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 115825626) is 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is CCC(C)(C)C1CCC2Oc3c(C)cc(C)cc3NC2C1.
What is the InChIKey of 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is PTWBVEOUKIDDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-6-19(4,5)14-7-8-17-15(11-14)20-16-10-12(2)9-13(3)18(16)21-17/h9-10,14-15,17,20H,6-8,11H2,1-5H3.
What are the key properties of 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 287.45 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 115825626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).