2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile

C10H16N4 — CID 11240960

IUPAC2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)/N=N/C(C#N)C(C)C
InChIInChI=1S/C10H16N4/c1-7(2)9(5-11)13-14-10(6-12)8(3)4/h7-10H,1-4H3/b14-13+
InChIKeyMTLWTRLYHAQCAM-BUHFOSPRSA-N
MW192.27 g/mol
LogP2.53
Rot. Bonds4

About 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile

2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile (PubChem CID 11240960) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile
PubChem CID11240960
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)/N=N/C(C#N)C(C)C
InChIInChI=1S/C10H16N4/c1-7(2)9(5-11)13-14-10(6-12)8(3)4/h7-10H,1-4H3/b14-13+
InChIKeyMTLWTRLYHAQCAM-BUHFOSPRSA-N
XLogP2.53
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
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 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile?
The IUPAC name of 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile (CID 11240960) is 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile is CC(C)C(C#N)/N=N/C(C#N)C(C)C.
What is the InChIKey of 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile?
The InChIKey is MTLWTRLYHAQCAM-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4/c1-7(2)9(5-11)13-14-10(6-12)8(3)4/h7-10H,1-4H3/b14-13+.
What are the key properties of 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile?
2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile has a molecular weight of 192.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile is sourced from PubChem (CID 11240960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).