3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile

C10H16N4 — CID 174779390

IUPAC3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile
SMILES[H]/N=N/C(C)(C(C)(C)C#N)C(C)(C)C#N
InChIInChI=1S/C10H16N4/c1-8(2,6-11)10(5,14-13)9(3,4)7-12/h13H,1-5H3/b14-13+
InChIKeyHCUNRDPMXRCJSF-BUHFOSPRSA-N
MW192.27 g/mol
LogP2.88
Rot. Bonds3

About 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile

3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile (PubChem CID 174779390) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile.

Molecular Properties

Compound Name3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile
PubChem CID174779390
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile
SMILES[H]/N=N/C(C)(C(C)(C)C#N)C(C)(C)C#N
InChIInChI=1S/C10H16N4/c1-8(2,6-11)10(5,14-13)9(3,4)7-12/h13H,1-5H3/b14-13+
InChIKeyHCUNRDPMXRCJSF-BUHFOSPRSA-N
XLogP2.88
TPSA83.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile?
The IUPAC name of 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile (CID 174779390) is 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile.
What is the SMILES notation for 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile?
The canonical SMILES for 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile is [H]/N=N/C(C)(C(C)(C)C#N)C(C)(C)C#N.
What is the InChIKey of 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile?
The InChIKey is HCUNRDPMXRCJSF-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(2,6-11)10(5,14-13)9(3,4)7-12/h13H,1-5H3/b14-13+.
What are the key properties of 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile?
3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile has a molecular weight of 192.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile is sourced from PubChem (CID 174779390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).