(E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine

C22H30N6 — CID 101405110

IUPAC(E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine
SMILESCCN(C/C=C/CN(CC)/N=N/c1ccc(C)cc1)/N=N/c1ccc(C)cc1
InChIInChI=1S/C22H30N6/c1-5-27(25-23-21-13-9-19(3)10-14-21)17-7-8-18-28(6-2)26-24-22-15-11-20(4)12-16-22/h7-16H,5-6,17-18H2,1-4H3/b8-7+,25-23+,26-24+
InChIKeyYQLJGJHKDYKHOT-XPFLWABXSA-N
MW378.52 g/mol
LogP6.20
Rot. Bonds10

About (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine

(E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine (PubChem CID 101405110) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine
PubChem CID101405110
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name(E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine
SMILESCCN(C/C=C/CN(CC)/N=N/c1ccc(C)cc1)/N=N/c1ccc(C)cc1
InChIInChI=1S/C22H30N6/c1-5-27(25-23-21-13-9-19(3)10-14-21)17-7-8-18-28(6-2)26-24-22-15-11-20(4)12-16-22/h7-16H,5-6,17-18H2,1-4H3/b8-7+,25-23+,26-24+
InChIKeyYQLJGJHKDYKHOT-XPFLWABXSA-N
XLogP6.20
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.20
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'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine (CID 101405110) is (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine is CCN(C/C=C/CN(CC)/N=N/c1ccc(C)cc1)/N=N/c1ccc(C)cc1.
What is the InChIKey of (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine?
The InChIKey is YQLJGJHKDYKHOT-XPFLWABXSA-N. The full InChI is InChI=1S/C22H30N6/c1-5-27(25-23-21-13-9-19(3)10-14-21)17-7-8-18-28(6-2)26-24-22-15-11-20(4)12-16-22/h7-16H,5-6,17-18H2,1-4H3/b8-7+,25-23+,26-24+.
What are the key properties of (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine?
(E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine has a molecular weight of 378.52 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-diethyl-N,N'-bis[(4-methylphenyl)diazenyl]but-2-ene-1,4-diamine is sourced from PubChem (CID 101405110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).