2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile

C14H16N4 — CID 169339101

IUPAC2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1cccc(C(C)(C)C)c1NN=C(C#N)C#N
InChIInChI=1S/C14H16N4/c1-10-6-5-7-12(14(2,3)4)13(10)18-17-11(8-15)9-16/h5-7,18H,1-4H3
InChIKeyQKLHJJYHPCQGBC-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.11
Rot. Bonds2

About 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile

2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169339101) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169339101
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1cccc(C(C)(C)C)c1NN=C(C#N)C#N
InChIInChI=1S/C14H16N4/c1-10-6-5-7-12(14(2,3)4)13(10)18-17-11(8-15)9-16/h5-7,18H,1-4H3
InChIKeyQKLHJJYHPCQGBC-UHFFFAOYSA-N
XLogP3.11
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluoro-6-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337369
2-[[2-chloro-6-(2-hydroxy-3-methylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341344
2-[2-(dicyanomethylidene)hydrazinyl]-6-methylbenzoic acid
CID 169337524
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337449
2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169339068
2-[[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339854
2-[(3-methyl-1H-indol-7-yl)hydrazinylidene]propanedinitrile
CID 169337941
2-tert-butyl-6-methylphenol
CID 16678
2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile
CID 169337771
2-[[2-chloro-6-(trifluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339103
2,6-ditert-butyl-N-methylaniline
CID 22239602
2-[(2-methyl-4-phenylphenyl)hydrazinylidene]propanedinitrile
CID 169341630

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile (CID 169339101) is 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile is Cc1cccc(C(C)(C)C)c1NN=C(C#N)C#N.
What is the InChIKey of 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is QKLHJJYHPCQGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-6-5-7-12(14(2,3)4)13(10)18-17-11(8-15)9-16/h5-7,18H,1-4H3.
What are the key properties of 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile?
2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 240.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-methylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).