2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile

C12H18N4O — CID 11085716

IUPAC2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile
SMILESCC(C)(C#N)ON(C(C)(C)C#N)C(C)(C)C#N
InChIInChI=1S/C12H18N4O/c1-10(2,7-13)16(11(3,4)8-14)17-12(5,6)9-15/h1-6H3
InChIKeyIDJVUSYCRWRGGR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile

2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile (PubChem CID 11085716) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile
PubChem CID11085716
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile
SMILESCC(C)(C#N)ON(C(C)(C)C#N)C(C)(C)C#N
InChIInChI=1S/C12H18N4O/c1-10(2,7-13)16(11(3,4)8-14)17-12(5,6)9-15/h1-6H3
InChIKeyIDJVUSYCRWRGGR-UHFFFAOYSA-N
XLogP2.13
TPSA83.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile?
The IUPAC name of 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile (CID 11085716) is 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile is CC(C)(C#N)ON(C(C)(C)C#N)C(C)(C)C#N.
What is the InChIKey of 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile?
The InChIKey is IDJVUSYCRWRGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(2,7-13)16(11(3,4)8-14)17-12(5,6)9-15/h1-6H3.
What are the key properties of 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile?
2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile has a molecular weight of 234.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropan-2-yl(2-cyanopropan-2-yloxy)amino]-2-methylpropanenitrile is sourced from PubChem (CID 11085716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).