7-bromo-2,2-dimethylazepine

C8H10BrN — CID 143545839

IUPAC7-bromo-2,2-dimethylazepine
SMILESCC1(C)C=CC=CC(Br)=N1
InChIInChI=1S/C8H10BrN/c1-8(2)6-4-3-5-7(9)10-8/h3-6H,1-2H3
InChIKeyYHORSKDUSICKMS-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.68
Rot. Bonds

About 7-bromo-2,2-dimethylazepine

7-bromo-2,2-dimethylazepine (PubChem CID 143545839) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 7-bromo-2,2-dimethylazepine.

Molecular Properties

Compound Name7-bromo-2,2-dimethylazepine
PubChem CID143545839
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name7-bromo-2,2-dimethylazepine
SMILESCC1(C)C=CC=CC(Br)=N1
InChIInChI=1S/C8H10BrN/c1-8(2)6-4-3-5-7(9)10-8/h3-6H,1-2H3
InChIKeyYHORSKDUSICKMS-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-ethenyl-7,7-dimethylazepine-3-thiol
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5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene
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3,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130311423
lithium;2,2-dimethylpyrrole;hydride
CID 174540828
2-bromo-5,5-dimethylcyclopenta-1,3-diene
CID 10844938
1,2,4,4-tetramethylpyrimidine
CID 89117597
2-chloro-4,4-dimethyl-1H-pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,2-dimethylazepine?
The IUPAC name of 7-bromo-2,2-dimethylazepine (CID 143545839) is 7-bromo-2,2-dimethylazepine.
What is the SMILES notation for 7-bromo-2,2-dimethylazepine?
The canonical SMILES for 7-bromo-2,2-dimethylazepine is CC1(C)C=CC=CC(Br)=N1.
What is the InChIKey of 7-bromo-2,2-dimethylazepine?
The InChIKey is YHORSKDUSICKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-8(2)6-4-3-5-7(9)10-8/h3-6H,1-2H3.
What are the key properties of 7-bromo-2,2-dimethylazepine?
7-bromo-2,2-dimethylazepine has a molecular weight of 200.08 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,2-dimethylazepine is sourced from PubChem (CID 143545839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).