4-bromo-3-ethylcyclohexa-1,3-dien-1-amine

C8H12BrN — CID 163374939

IUPAC4-bromo-3-ethylcyclohexa-1,3-dien-1-amine
SMILESCCC1=C(Br)CCC(N)=C1
InChIInChI=1S/C8H12BrN/c1-2-6-5-7(10)3-4-8(6)9/h5H,2-4,10H2,1H3
InChIKeyRSZUDCDRNTWXNX-UHFFFAOYSA-N
MW202.09 g/mol
LogP2.68
Rot. Bonds1

About 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine

4-bromo-3-ethylcyclohexa-1,3-dien-1-amine (PubChem CID 163374939) has the molecular formula C8H12BrN and a molecular weight of 202.09 g/mol. Its IUPAC name is 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-bromo-3-ethylcyclohexa-1,3-dien-1-amine
PubChem CID163374939
Molecular FormulaC8H12BrN
Molecular Weight202.09 g/mol
Exact Mass201.02
IUPAC Name4-bromo-3-ethylcyclohexa-1,3-dien-1-amine
SMILESCCC1=C(Br)CCC(N)=C1
InChIInChI=1S/C8H12BrN/c1-2-6-5-7(10)3-4-8(6)9/h5H,2-4,10H2,1H3
InChIKeyRSZUDCDRNTWXNX-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.09
LogP ≤ 52.68
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
6-Bromo-4-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 153655530
3-Bromocyclohexa-1,3-dien-1-amine
CID 68051778
3-Methylcyclohexa-1,3-dien-1-amine
CID 68211169
4-Bromo-2-methylcyclohexa-1,3-dien-1-amine
CID 70249874
4-Bromocyclohexa-1,3-dien-1-amine
CID 70279536
(3Z,5E)-5-bromo-7-methylidenenona-3,5-dien-3-amine
CID 88265548
2,3-Dimethylcyclohexa-1,3-dien-1-amine
CID 89139119
4-Bromo-4-methylcyclohexa-1,5-dien-1-amine
CID 89146794
4-(4-Bromocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 89302019
3,5-Dibromo-4-methylcyclohexa-1,3-dien-1-amine
CID 89575188
6-Bromo-2,3-dihydronaphthalene-1,8-diamine
CID 89643546

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine (CID 163374939) is 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine is CCC1=C(Br)CCC(N)=C1.
What is the InChIKey of 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine?
The InChIKey is RSZUDCDRNTWXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN/c1-2-6-5-7(10)3-4-8(6)9/h5H,2-4,10H2,1H3.
What are the key properties of 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine?
4-bromo-3-ethylcyclohexa-1,3-dien-1-amine has a molecular weight of 202.09 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 163374939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).