6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine

C8H12BrN — CID 173212576

IUPAC6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=CCCC=C1Br
InChIInChI=1S/C8H12BrN/c1-10(2)8-6-4-3-5-7(8)9/h5-6H,3-4H2,1-2H3
InChIKeyDDMMQVKQPKUKHJ-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.50
Rot. Bonds1

About 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine

6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 173212576) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID173212576
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILESCN(C)C1=CCCC=C1Br
InChIInChI=1S/C8H12BrN/c1-10(2)8-6-4-3-5-7(8)9/h5-6H,3-4H2,1-2H3
InChIKeyDDMMQVKQPKUKHJ-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 173212576) is 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine is CN(C)C1=CCCC=C1Br.
What is the InChIKey of 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is DDMMQVKQPKUKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-10(2)8-6-4-3-5-7(8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine?
6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 202.09 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 173212576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).