2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile

C13H14N4 — CID 169341724

IUPAC2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCC(C)Cc1ccccc1NN=C(C#N)C#N
InChIInChI=1S/C13H14N4/c1-10(2)7-11-5-3-4-6-13(11)17-16-12(8-14)9-15/h3-6,10,17H,7H2,1-2H3
InChIKeyKQSUEVHNNJKQKG-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.70
Rot. Bonds4

About 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169341724) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169341724
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
SMILESCC(C)Cc1ccccc1NN=C(C#N)C#N
InChIInChI=1S/C13H14N4/c1-10(2)7-11-5-3-4-6-13(11)17-16-12(8-14)9-15/h3-6,10,17H,7H2,1-2H3
InChIKeyKQSUEVHNNJKQKG-UHFFFAOYSA-N
XLogP2.70
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.70
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-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[[3-(hydroxymethyl)-2-methylphenyl]hydrazinylidene]propanedinitrile
CID 169337771
2-[(2-bromophenyl)hydrazinylidene]propanedinitrile
CID 779795
2-[[2-(2-fluoroanilino)phenyl]hydrazinylidene]propanedinitrile
CID 169337850
2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile
CID 169341274
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[[2-(2-methoxyethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169342072
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile
CID 169338563
N-[2-(2-methylpropyl)phenyl]but-2-ynamide
CID 138539040
2-[[2-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337449
2-[[2-(2-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 139663745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile (CID 169341724) is 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile is CC(C)Cc1ccccc1NN=C(C#N)C#N.
What is the InChIKey of 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is KQSUEVHNNJKQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-10(2)7-11-5-3-4-6-13(11)17-16-12(8-14)9-15/h3-6,10,17H,7H2,1-2H3.
What are the key properties of 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 226.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).