5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine

C13H14BrN — CID 137227877

IUPAC5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine
SMILESCN(C)C1=CC=CC1=C1C=CC=CC1Br
InChIInChI=1S/C13H14BrN/c1-15(2)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h3-9,12H,1-2H3
InChIKeyVIQFUNKRRAREET-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.19
Rot. Bonds1

About 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine

5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine (PubChem CID 137227877) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine
PubChem CID137227877
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine
SMILESCN(C)C1=CC=CC1=C1C=CC=CC1Br
InChIInChI=1S/C13H14BrN/c1-15(2)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h3-9,12H,1-2H3
InChIKeyVIQFUNKRRAREET-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine?
The IUPAC name of 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine (CID 137227877) is 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine is CN(C)C1=CC=CC1=C1C=CC=CC1Br.
What is the InChIKey of 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine?
The InChIKey is VIQFUNKRRAREET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-15(2)13-9-5-7-11(13)10-6-3-4-8-12(10)14/h3-9,12H,1-2H3.
What are the key properties of 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine?
5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine has a molecular weight of 264.17 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 137227877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).