benzyl-bis(4-bromobuta-2,3-dienyl)azanium

C15H16Br2N+ — CID 2192527

IUPACbenzyl-bis(4-bromobuta-2,3-dienyl)azanium
SMILESBrC=C=CC[NH+](CC=C=CBr)Cc1ccccc1
InChIInChI=1S/C15H15Br2N/c16-10-4-6-12-18(13-7-5-11-17)14-15-8-2-1-3-9-15/h1-3,6-11H,12-14H2/p+1
InChIKeyRZSSZVCKPRQWTC-UHFFFAOYSA-O
MW370.11 g/mol
LogP3.20
Rot. Bonds6

About benzyl-bis(4-bromobuta-2,3-dienyl)azanium

benzyl-bis(4-bromobuta-2,3-dienyl)azanium (PubChem CID 2192527) has the molecular formula C15H16Br2N+ and a molecular weight of 370.11 g/mol. Its IUPAC name is benzyl-bis(4-bromobuta-2,3-dienyl)azanium.

Molecular Properties

Compound Namebenzyl-bis(4-bromobuta-2,3-dienyl)azanium
PubChem CID2192527
Molecular FormulaC15H16Br2N+
Molecular Weight370.11 g/mol
Exact Mass367.96
IUPAC Namebenzyl-bis(4-bromobuta-2,3-dienyl)azanium
SMILESBrC=C=CC[NH+](CC=C=CBr)Cc1ccccc1
InChIInChI=1S/C15H15Br2N/c16-10-4-6-12-18(13-7-5-11-17)14-15-8-2-1-3-9-15/h1-3,6-11H,12-14H2/p+1
InChIKeyRZSSZVCKPRQWTC-UHFFFAOYSA-O
XLogP3.20
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl-bis(4-bromobuta-2,3-dienyl)azanium?
The IUPAC name of benzyl-bis(4-bromobuta-2,3-dienyl)azanium (CID 2192527) is benzyl-bis(4-bromobuta-2,3-dienyl)azanium.
What is the SMILES notation for benzyl-bis(4-bromobuta-2,3-dienyl)azanium?
The canonical SMILES for benzyl-bis(4-bromobuta-2,3-dienyl)azanium is BrC=C=CC[NH+](CC=C=CBr)Cc1ccccc1.
What is the InChIKey of benzyl-bis(4-bromobuta-2,3-dienyl)azanium?
The InChIKey is RZSSZVCKPRQWTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15Br2N/c16-10-4-6-12-18(13-7-5-11-17)14-15-8-2-1-3-9-15/h1-3,6-11H,12-14H2/p+1.
What are the key properties of benzyl-bis(4-bromobuta-2,3-dienyl)azanium?
benzyl-bis(4-bromobuta-2,3-dienyl)azanium has a molecular weight of 370.11 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-bis(4-bromobuta-2,3-dienyl)azanium is sourced from PubChem (CID 2192527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).