ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene

C19H25N5O — CID 157260661

IUPACethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
SMILESCC.Cc1ccc(/N=N/c2ccc(/N=N/N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H19N5O.C2H6/c1-14-2-4-15(5-3-14)18-19-16-6-8-17(9-7-16)20-21-22-10-12-23-13-11-22;1-2/h2-9H,10-13H2,1H3;1-2H3/b19-18+,21-20+;
InChIKeyAXKLALJXFYVBQN-KPOUBPLVSA-N
MW339.44 g/mol
LogP5.77
Rot. Bonds4

About ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene

ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene (PubChem CID 157260661) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene.

Molecular Properties

Compound Nameethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
PubChem CID157260661
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Nameethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
SMILESCC.Cc1ccc(/N=N/c2ccc(/N=N/N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H19N5O.C2H6/c1-14-2-4-15(5-3-14)18-19-16-6-8-17(9-7-16)20-21-22-10-12-23-13-11-22;1-2/h2-9H,10-13H2,1H3;1-2H3/b19-18+,21-20+;
InChIKeyAXKLALJXFYVBQN-KPOUBPLVSA-N
XLogP5.77
TPSA61.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene
CID 123256247
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene
CID 71258841
N-[4-(morpholin-4-yldiazenyl)phenyl]sulfonylethanimidate
CID 1235130
bis(4-methylphenyl)diazene
CID 10389
3-[4-(morpholin-4-yldiazenyl)phenoxy]propan-1-ol
CID 102354378
N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
CID 1020625
N-(2,6-dimethylpyrimidin-4-yl)-4-(morpholin-4-yldiazenyl)benzenesulfonamide
CID 25047791
[2-methyl-4-[(4-methylphenyl)diazenyl]piperazin-1-yl]-(4-methylphenyl)diazene
CID 102083511
(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene
CID 71259441
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile
CID 54043988

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene?
The IUPAC name of ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene (CID 157260661) is ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene.
What is the SMILES notation for ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene?
The canonical SMILES for ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene is CC.Cc1ccc(/N=N/c2ccc(/N=N/N3CCOCC3)cc2)cc1.
What is the InChIKey of ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene?
The InChIKey is AXKLALJXFYVBQN-KPOUBPLVSA-N. The full InChI is InChI=1S/C17H19N5O.C2H6/c1-14-2-4-15(5-3-14)18-19-16-6-8-17(9-7-16)20-21-22-10-12-23-13-11-22;1-2/h2-9H,10-13H2,1H3;1-2H3/b19-18+,21-20+;.
What are the key properties of ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene?
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene has a molecular weight of 339.44 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene is sourced from PubChem (CID 157260661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).