(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile

C8H12N4 — CID 170160766

IUPAC(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile
SMILES[H]/N=N/[C@@](C)(C#N)CC(C)(C)C#N
InChIInChI=1S/C8H12N4/c1-7(2,5-9)4-8(3,6-10)12-11/h11H,4H2,1-3H3/b12-11+/t8-/m1/s1
InChIKeyNUGMNEHHMGHXIK-MDBUJETNSA-N
MW164.21 g/mol
LogP2.24
Rot. Bonds3

About (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile

(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile (PubChem CID 170160766) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile.

Molecular Properties

Compound Name(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile
PubChem CID170160766
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile
SMILES[H]/N=N/[C@@](C)(C#N)CC(C)(C)C#N
InChIInChI=1S/C8H12N4/c1-7(2,5-9)4-8(3,6-10)12-11/h11H,4H2,1-3H3/b12-11+/t8-/m1/s1
InChIKeyNUGMNEHHMGHXIK-MDBUJETNSA-N
XLogP2.24
TPSA83.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.24
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 (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile?
The IUPAC name of (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile (CID 170160766) is (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile.
What is the SMILES notation for (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile?
The canonical SMILES for (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile is [H]/N=N/[C@@](C)(C#N)CC(C)(C)C#N.
What is the InChIKey of (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile?
The InChIKey is NUGMNEHHMGHXIK-MDBUJETNSA-N. The full InChI is InChI=1S/C8H12N4/c1-7(2,5-9)4-8(3,6-10)12-11/h11H,4H2,1-3H3/b12-11+/t8-/m1/s1.
What are the key properties of (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile?
(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile has a molecular weight of 164.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile is sourced from PubChem (CID 170160766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).