6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene

C17H22BrN — CID 175766460

IUPAC6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene
SMILESCC(C)(C)C1=NCCC2CCCc3c(Br)ccc1c32
InChIInChI=1S/C17H22BrN/c1-17(2,3)16-13-7-8-14(18)12-6-4-5-11(15(12)13)9-10-19-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZYBFLWUMAHAYOM-UHFFFAOYSA-N
MW320.27 g/mol
LogP5.11
Rot. Bonds

About 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene

6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene (PubChem CID 175766460) has the molecular formula C17H22BrN and a molecular weight of 320.27 g/mol. Its IUPAC name is 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene.

Molecular Properties

Compound Name6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene
PubChem CID175766460
Molecular FormulaC17H22BrN
Molecular Weight320.27 g/mol
Exact Mass319.09
IUPAC Name6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene
SMILESCC(C)(C)C1=NCCC2CCCc3c(Br)ccc1c32
InChIInChI=1S/C17H22BrN/c1-17(2,3)16-13-7-8-14(18)12-6-4-5-11(15(12)13)9-10-19-16/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyZYBFLWUMAHAYOM-UHFFFAOYSA-N
XLogP5.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.27
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene?
The IUPAC name of 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene (CID 175766460) is 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene.
What is the SMILES notation for 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene?
The canonical SMILES for 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene is CC(C)(C)C1=NCCC2CCCc3c(Br)ccc1c32.
What is the InChIKey of 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene?
The InChIKey is ZYBFLWUMAHAYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN/c1-17(2,3)16-13-7-8-14(18)12-6-4-5-11(15(12)13)9-10-19-16/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene?
6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene has a molecular weight of 320.27 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-10-tert-butyl-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14),10-tetraene is sourced from PubChem (CID 175766460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).