2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile

C13H20N4 — CID 57223212

IUPAC2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile
SMILESCCCC(C)(C#N)NN=C1CCCCC1C#N
InChIInChI=1S/C13H20N4/c1-3-8-13(2,10-15)17-16-12-7-5-4-6-11(12)9-14/h11,17H,3-8H2,1-2H3
InChIKeyZXWBZZFSQKTRID-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.73
Rot. Bonds4

About 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile

2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile (PubChem CID 57223212) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile
PubChem CID57223212
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile
SMILESCCCC(C)(C#N)NN=C1CCCCC1C#N
InChIInChI=1S/C13H20N4/c1-3-8-13(2,10-15)17-16-12-7-5-4-6-11(12)9-14/h11,17H,3-8H2,1-2H3
InChIKeyZXWBZZFSQKTRID-UHFFFAOYSA-N
XLogP2.73
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile (CID 57223212) is 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile is CCCC(C)(C#N)NN=C1CCCCC1C#N.
What is the InChIKey of 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile?
The InChIKey is ZXWBZZFSQKTRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-8-13(2,10-15)17-16-12-7-5-4-6-11(12)9-14/h11,17H,3-8H2,1-2H3.
What are the key properties of 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile?
2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopentan-2-ylhydrazinylidene)cyclohexane-1-carbonitrile is sourced from PubChem (CID 57223212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).