(E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine

C20H24Br2N6 — CID 101405111

IUPAC(E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine
SMILESCCN(C/C=C/CN(CC)/N=N/c1ccc(Br)cc1)/N=N/c1ccc(Br)cc1
InChIInChI=1S/C20H24Br2N6/c1-3-27(25-23-19-11-7-17(21)8-12-19)15-5-6-16-28(4-2)26-24-20-13-9-18(22)10-14-20/h5-14H,3-4,15-16H2,1-2H3/b6-5+,25-23+,26-24+
InChIKeyDDBDYTVDDRQAST-SSRVRESHSA-N
MW508.26 g/mol
LogP7.11
Rot. Bonds10

About (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine

(E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine (PubChem CID 101405111) has the molecular formula C20H24Br2N6 and a molecular weight of 508.26 g/mol. Its IUPAC name is (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine
PubChem CID101405111
Molecular FormulaC20H24Br2N6
Molecular Weight508.26 g/mol
Exact Mass506.04
IUPAC Name(E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine
SMILESCCN(C/C=C/CN(CC)/N=N/c1ccc(Br)cc1)/N=N/c1ccc(Br)cc1
InChIInChI=1S/C20H24Br2N6/c1-3-27(25-23-19-11-7-17(21)8-12-19)15-5-6-16-28(4-2)26-24-20-13-9-18(22)10-14-20/h5-14H,3-4,15-16H2,1-2H3/b6-5+,25-23+,26-24+
InChIKeyDDBDYTVDDRQAST-SSRVRESHSA-N
XLogP7.11
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.26
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine (CID 101405111) is (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine is CCN(C/C=C/CN(CC)/N=N/c1ccc(Br)cc1)/N=N/c1ccc(Br)cc1.
What is the InChIKey of (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine?
The InChIKey is DDBDYTVDDRQAST-SSRVRESHSA-N. The full InChI is InChI=1S/C20H24Br2N6/c1-3-27(25-23-19-11-7-17(21)8-12-19)15-5-6-16-28(4-2)26-24-20-13-9-18(22)10-14-20/h5-14H,3-4,15-16H2,1-2H3/b6-5+,25-23+,26-24+.
What are the key properties of (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine?
(E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine has a molecular weight of 508.26 g/mol, XLogP of 7.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis[(4-bromophenyl)diazenyl]-N,N'-diethylbut-2-ene-1,4-diamine is sourced from PubChem (CID 101405111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).