4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine

C8H12BrN — CID 153094420

IUPAC4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(N)C(C)CC(Br)=C1
InChIInChI=1S/C8H12BrN/c1-5-3-7(9)4-6(2)8(5)10/h3,6H,4,10H2,1-2H3
InChIKeyVPUWATOYGKGVDB-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.54
Rot. Bonds

About 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine

4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 153094420) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID153094420
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(N)C(C)CC(Br)=C1
InChIInChI=1S/C8H12BrN/c1-5-3-7(9)4-6(2)8(5)10/h3,6H,4,10H2,1-2H3
InChIKeyVPUWATOYGKGVDB-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-Dibromo-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
CID 172727665
4-Bromo-2-methylcyclohexa-1,3-dien-1-amine
CID 70249874
3,6-Dimethylcyclohexa-1,3-dien-1-amine
CID 89014266
3-Ethyl-6-methylcyclohexa-1,3-dien-1-amine
CID 89044307
3,5-Dimethylcyclohexa-1,3-dien-1-amine
CID 89125905
2,6-Dimethylcyclohexa-1,3-dien-1-amine
CID 89191211
(5R)-3,5-dimethylcyclohexa-1,3-dien-1-amine
CID 89336310
6-Bromo-5-ethylcyclohepta-1,3,6-trien-1-amine
CID 126499948
(6S)-4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine
CID 132123069
1-Cyclohexa-2,4-dien-1-yl-2-methylprop-1-en-1-amine
CID 132135245
2-Ethenyl-5-methylcyclohexa-1,3-dien-1-amine
CID 134401121
(E,1E)-1-(5-bromo-6-methylidenecyclohexa-2,4-dien-1-ylidene)-1-chloro-4-methylhex-2-en-3-amine
CID 138527413

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine (CID 153094420) is 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine is CC1=C(N)C(C)CC(Br)=C1.
What is the InChIKey of 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is VPUWATOYGKGVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-5-3-7(9)4-6(2)8(5)10/h3,6H,4,10H2,1-2H3.
What are the key properties of 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine?
4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 202.09 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 153094420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).