2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile

C18H15N5 — CID 71342460

IUPAC2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile
SMILESCN(C)c1ccccc1/N=N/c1ccccc1C=C(C#N)C#N
InChIInChI=1S/C18H15N5/c1-23(2)18-10-6-5-9-17(18)22-21-16-8-4-3-7-15(16)11-14(12-19)13-20/h3-11H,1-2H3/b22-21+
InChIKeyLFLJROXBTDSCMO-QURGRASLSA-N
MW301.35 g/mol
LogP4.60
Rot. Bonds4

About 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile

2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile (PubChem CID 71342460) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile
PubChem CID71342460
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile
SMILESCN(C)c1ccccc1/N=N/c1ccccc1C=C(C#N)C#N
InChIInChI=1S/C18H15N5/c1-23(2)18-10-6-5-9-17(18)22-21-16-8-4-3-7-15(16)11-14(12-19)13-20/h3-11H,1-2H3/b22-21+
InChIKeyLFLJROXBTDSCMO-QURGRASLSA-N
XLogP4.60
TPSA75.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile?
The IUPAC name of 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile (CID 71342460) is 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile is CN(C)c1ccccc1/N=N/c1ccccc1C=C(C#N)C#N.
What is the InChIKey of 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile?
The InChIKey is LFLJROXBTDSCMO-QURGRASLSA-N. The full InChI is InChI=1S/C18H15N5/c1-23(2)18-10-6-5-9-17(18)22-21-16-8-4-3-7-15(16)11-14(12-19)13-20/h3-11H,1-2H3/b22-21+.
What are the key properties of 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile?
2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile has a molecular weight of 301.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(dimethylamino)phenyl]diazenyl]phenyl]methylidene]propanedinitrile is sourced from PubChem (CID 71342460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).