2-[[di(propan-2-yl)amino]diazenyl]benzonitrile

C13H18N4 — CID 24938639

IUPAC2-[[di(propan-2-yl)amino]diazenyl]benzonitrile
SMILESCC(C)N(/N=N/c1ccccc1C#N)C(C)C
InChIInChI=1S/C13H18N4/c1-10(2)17(11(3)4)16-15-13-8-6-5-7-12(13)9-14/h5-8,10-11H,1-4H3/b16-15+
InChIKeyNNIIYWQWEBADGP-FOCLMDBBSA-N
MW230.31 g/mol
LogP3.68
Rot. Bonds4

About 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile

2-[[di(propan-2-yl)amino]diazenyl]benzonitrile (PubChem CID 24938639) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]diazenyl]benzonitrile
PubChem CID24938639
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[[di(propan-2-yl)amino]diazenyl]benzonitrile
SMILESCC(C)N(/N=N/c1ccccc1C#N)C(C)C
InChIInChI=1S/C13H18N4/c1-10(2)17(11(3)4)16-15-13-8-6-5-7-12(13)9-14/h5-8,10-11H,1-4H3/b16-15+
InChIKeyNNIIYWQWEBADGP-FOCLMDBBSA-N
XLogP3.68
TPSA51.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile?
The IUPAC name of 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile (CID 24938639) is 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile?
The canonical SMILES for 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile is CC(C)N(/N=N/c1ccccc1C#N)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile?
The InChIKey is NNIIYWQWEBADGP-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(2)17(11(3)4)16-15-13-8-6-5-7-12(13)9-14/h5-8,10-11H,1-4H3/b16-15+.
What are the key properties of 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile?
2-[[di(propan-2-yl)amino]diazenyl]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)amino]diazenyl]benzonitrile is sourced from PubChem (CID 24938639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).