3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile

C10H16N4 — CID 10219777

IUPAC3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile
SMILESCC(C)(CC#N)/N=N/C(C)(C)CC#N
InChIInChI=1S/C10H16N4/c1-9(2,5-7-11)13-14-10(3,4)6-8-12/h5-6H2,1-4H3/b14-13+
InChIKeyDEXKCEBSNNUBSJ-BUHFOSPRSA-N
MW192.27 g/mol
LogP2.82
Rot. Bonds4

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

3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile (PubChem CID 10219777) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile
PubChem CID10219777
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile
SMILESCC(C)(CC#N)/N=N/C(C)(C)CC#N
InChIInChI=1S/C10H16N4/c1-9(2,5-7-11)13-14-10(3,4)6-8-12/h5-6H2,1-4H3/b14-13+
InChIKeyDEXKCEBSNNUBSJ-BUHFOSPRSA-N
XLogP2.82
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 ≤ 52.82
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 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile?
The IUPAC name of 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile (CID 10219777) is 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile.
What is the SMILES notation for 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile?
The canonical SMILES for 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile is CC(C)(CC#N)/N=N/C(C)(C)CC#N.
What is the InChIKey of 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile?
The InChIKey is DEXKCEBSNNUBSJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H16N4/c1-9(2,5-7-11)13-14-10(3,4)6-8-12/h5-6H2,1-4H3/b14-13+.
What are the key properties of 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile?
3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile has a molecular weight of 192.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyano-2-methylpropan-2-yl)diazenyl]-3-methylbutanenitrile is sourced from PubChem (CID 10219777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).