2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol

C12H22N4O2 — CID 172753622

IUPAC2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol
SMILESCC(C)(C#N)/N=N/C(C)(C)C#N.COCC(C)O
InChIInChI=1S/C8H12N4.C4H10O2/c1-7(2,5-9)11-12-8(3,4)6-10;1-4(5)3-6-2/h1-4H3;4-5H,3H2,1-2H3/b12-11+;
InChIKeyKSHZGVNSWPBZIU-CALJPSDSSA-N
MW254.33 g/mol
LogP2.06
Rot. Bonds4

About 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol

2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol (PubChem CID 172753622) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol
PubChem CID172753622
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol
SMILESCC(C)(C#N)/N=N/C(C)(C)C#N.COCC(C)O
InChIInChI=1S/C8H12N4.C4H10O2/c1-7(2,5-9)11-12-8(3,4)6-10;1-4(5)3-6-2/h1-4H3;4-5H,3H2,1-2H3/b12-11+;
InChIKeyKSHZGVNSWPBZIU-CALJPSDSSA-N
XLogP2.06
TPSA101.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methoxypropan-2-ol chloride
CID 23303898
1-methoxypropan-2-ol;propane
CID 159966080
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
acetonitrile;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
CID 160646643
2-(2-methoxypropan-2-yldiazenyl)-2-methylpropanenitrile
CID 21429800
methoxymethane;1-methoxypropan-2-ol;propane-1,1-diol
CID 175057633
(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile
CID 130978536
2-(2-cyanopropan-2-yldiazenyl)-5-hydroxy-3-(2-hydroxyethyl)-2-methylpentanenitrile
CID 175752750
2-hydroxy-4-methoxy-3-methylbutanenitrile
CID 116502277
6-methoxy-4,4,5-trimethylhexan-2-ol
CID 64715140
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
2-(chlorodiazenyl)-2-methylpropanenitrile
CID 90268545

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol?
The IUPAC name of 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol (CID 172753622) is 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol.
What is the SMILES notation for 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol?
The canonical SMILES for 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol is CC(C)(C#N)/N=N/C(C)(C)C#N.COCC(C)O.
What is the InChIKey of 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol?
The InChIKey is KSHZGVNSWPBZIU-CALJPSDSSA-N. The full InChI is InChI=1S/C8H12N4.C4H10O2/c1-7(2,5-9)11-12-8(3,4)6-10;1-4(5)3-6-2/h1-4H3;4-5H,3H2,1-2H3/b12-11+;.
What are the key properties of 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol?
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol is sourced from PubChem (CID 172753622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).