azane;bis(2-methylpropanenitrile)

C8H17N3 — CID 146171697

IUPACazane;bis(2-methylpropanenitrile)
SMILESCC(C)C#N.CC(C)C#N.N
InChIInChI=1S/2C4H7N.H3N/c2*1-4(2)3-5;/h2*4H,1-2H3;1H3
InChIKeyPZBJHKTXWHFNPE-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.49
Rot. Bonds

About azane;bis(2-methylpropanenitrile)

azane;bis(2-methylpropanenitrile) (PubChem CID 146171697) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is azane;bis(2-methylpropanenitrile).

Molecular Properties

Compound Nameazane;bis(2-methylpropanenitrile)
PubChem CID146171697
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Nameazane;bis(2-methylpropanenitrile)
SMILESCC(C)C#N.CC(C)C#N.N
InChIInChI=1S/2C4H7N.H3N/c2*1-4(2)3-5;/h2*4H,1-2H3;1H3
InChIKeyPZBJHKTXWHFNPE-UHFFFAOYSA-N
XLogP2.49
TPSA82.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;bis(2-methylpropanenitrile)?
The IUPAC name of azane;bis(2-methylpropanenitrile) (CID 146171697) is azane;bis(2-methylpropanenitrile).
What is the SMILES notation for azane;bis(2-methylpropanenitrile)?
The canonical SMILES for azane;bis(2-methylpropanenitrile) is CC(C)C#N.CC(C)C#N.N.
What is the InChIKey of azane;bis(2-methylpropanenitrile)?
The InChIKey is PZBJHKTXWHFNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H7N.H3N/c2*1-4(2)3-5;/h2*4H,1-2H3;1H3.
What are the key properties of azane;bis(2-methylpropanenitrile)?
azane;bis(2-methylpropanenitrile) has a molecular weight of 155.24 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(2-methylpropanenitrile) is sourced from PubChem (CID 146171697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).