2-bromocyclohexa-1,5-dien-1-amine

C6H8BrN — CID 59490909

IUPAC2-bromocyclohexa-1,5-dien-1-amine
SMILESNC1=C(Br)CCC=C1
InChIInChI=1S/C6H8BrN/c7-5-3-1-2-4-6(5)8/h2,4H,1,3,8H2
InChIKeyFOGNVQAKVXOSPF-UHFFFAOYSA-N
MW174.04 g/mol
LogP1.90
Rot. Bonds

About 2-bromocyclohexa-1,5-dien-1-amine

2-bromocyclohexa-1,5-dien-1-amine (PubChem CID 59490909) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 2-bromocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-bromocyclohexa-1,5-dien-1-amine
PubChem CID59490909
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name2-bromocyclohexa-1,5-dien-1-amine
SMILESNC1=C(Br)CCC=C1
InChIInChI=1S/C6H8BrN/c7-5-3-1-2-4-6(5)8/h2,4H,1,3,8H2
InChIKeyFOGNVQAKVXOSPF-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromocyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-bromocyclohexa-1,5-dien-1-amine (CID 59490909) is 2-bromocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-bromocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-bromocyclohexa-1,5-dien-1-amine is NC1=C(Br)CCC=C1.
What is the InChIKey of 2-bromocyclohexa-1,5-dien-1-amine?
The InChIKey is FOGNVQAKVXOSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN/c7-5-3-1-2-4-6(5)8/h2,4H,1,3,8H2.
What are the key properties of 2-bromocyclohexa-1,5-dien-1-amine?
2-bromocyclohexa-1,5-dien-1-amine has a molecular weight of 174.04 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 59490909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).