4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile

C10H16N4 — CID 15685550

IUPAC4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile
SMILESCC(CC#N)C/N=N/CC(C)CC#N
InChIInChI=1S/C10H16N4/c1-9(3-5-11)7-13-14-8-10(2)4-6-12/h9-10H,3-4,7-8H2,1-2H3/b14-13+
InChIKeyCVSVENVDIGZREX-BUHFOSPRSA-N
MW192.27 g/mol
LogP2.54
Rot. Bonds6

About 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile

4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile (PubChem CID 15685550) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile
PubChem CID15685550
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile
SMILESCC(CC#N)C/N=N/CC(C)CC#N
InChIInChI=1S/C10H16N4/c1-9(3-5-11)7-13-14-8-10(2)4-6-12/h9-10H,3-4,7-8H2,1-2H3/b14-13+
InChIKeyCVSVENVDIGZREX-BUHFOSPRSA-N
XLogP2.54
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 52.54
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 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile?
The IUPAC name of 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile (CID 15685550) is 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile.
What is the SMILES notation for 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile?
The canonical SMILES for 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile is CC(CC#N)C/N=N/CC(C)CC#N.
What is the InChIKey of 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile?
The InChIKey is CVSVENVDIGZREX-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4/c1-9(3-5-11)7-13-14-8-10(2)4-6-12/h9-10H,3-4,7-8H2,1-2H3/b14-13+.
What are the key properties of 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile?
4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile has a molecular weight of 192.27 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-2-methylpropyl)diazenyl]-3-methylbutanenitrile is sourced from PubChem (CID 15685550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).