10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine

C15H20BrN3O3 — CID 90956526

IUPAC10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine
SMILESCN1OCC2(CCOCCCOc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C15H20BrN3O3/c1-19-14(17)18-15(10-22-19)5-8-20-6-2-7-21-13-4-3-11(16)9-12(13)15/h3-4,9H,2,5-8,10H2,1H3,(H2,17,18)
InChIKeyRYOMWLQPMAPAEB-UHFFFAOYSA-N
MW370.25 g/mol
LogP2.03
Rot. Bonds

About 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine

10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine (PubChem CID 90956526) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine.

Molecular Properties

Compound Name10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine
PubChem CID90956526
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine
SMILESCN1OCC2(CCOCCCOc3ccc(Br)cc32)N=C1N
InChIInChI=1S/C15H20BrN3O3/c1-19-14(17)18-15(10-22-19)5-8-20-6-2-7-21-13-4-3-11(16)9-12(13)15/h3-4,9H,2,5-8,10H2,1H3,(H2,17,18)
InChIKeyRYOMWLQPMAPAEB-UHFFFAOYSA-N
XLogP2.03
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine with MolForge

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Related Compounds

CID 58424026
CID 58424026
CID 91212084
CID 91212084
(4R)-6-bromo-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-3'-amine
CID 71059576
2'-amino-10-(3-chlorophenyl)-3'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-imidazole]-4'-one
CID 91141040
5-bromo-2-(4-methyloxan-4-yl)spiro[1,2-dihydroindene-3,4'-5H-1,3-oxazole]-2'-amine
CID 121273818
2,10'-dimethylspiro[1,2,4-oxadiazole-5,8'-4,5,6,7-tetrahydro-1,3-benzodioxecine]-3-amine
CID 91584029
5-bromo-2-methylspiro[isoindole-3,4'-oxane]-1-one
CID 171798154
CID 58197281
CID 58197281
CID 58424720
CID 58424720
6'-bromo-2-methyl-2'-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-3-amine
CID 91092630
6'-bromo-4-methylspiro[1H-imidazole-2,4'-2,3-dihydrochromene]-5-thione
CID 86667268
6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625302

Frequently Asked Questions

What is the IUPAC name of 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine?
The IUPAC name of 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine (CID 90956526) is 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine.
What is the SMILES notation for 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine?
The canonical SMILES for 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine is CN1OCC2(CCOCCCOc3ccc(Br)cc32)N=C1N.
What is the InChIKey of 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine?
The InChIKey is RYOMWLQPMAPAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-19-14(17)18-15(10-22-19)5-8-20-6-2-7-21-13-4-3-11(16)9-12(13)15/h3-4,9H,2,5-8,10H2,1H3,(H2,17,18).
What are the key properties of 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine?
10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine has a molecular weight of 370.25 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-6H-1,2,4-oxadiazine]-3'-amine is sourced from PubChem (CID 90956526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).