hydron;bis(2-methylpropanenitrile)

C8H15N2+ — CID 174938927

IUPAChydron;bis(2-methylpropanenitrile)
SMILESCC(C)C#N.CC(C)C#N.[H+]
InChIInChI=1S/2C4H7N/c2*1-4(2)3-5/h2*4H,1-2H3/p+1
InChIKeyLKLVQOVSDUUTEB-UHFFFAOYSA-O
MW139.22 g/mol
LogP2.44
Rot. Bonds

About hydron;bis(2-methylpropanenitrile)

hydron;bis(2-methylpropanenitrile) (PubChem CID 174938927) has the molecular formula C8H15N2+ and a molecular weight of 139.22 g/mol. Its IUPAC name is hydron;bis(2-methylpropanenitrile).

Molecular Properties

Compound Namehydron;bis(2-methylpropanenitrile)
PubChem CID174938927
Molecular FormulaC8H15N2+
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Namehydron;bis(2-methylpropanenitrile)
SMILESCC(C)C#N.CC(C)C#N.[H+]
InChIInChI=1S/2C4H7N/c2*1-4(2)3-5/h2*4H,1-2H3/p+1
InChIKeyLKLVQOVSDUUTEB-UHFFFAOYSA-O
XLogP2.44
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;bis(2-methylpropanenitrile)
CID 146171697
2-methylpropanenitrile;tetrachloromethane
CID 174700163
3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile
CID 54201020
2-methylpropanedinitrile
CID 19425
(2S)-2-aminopropanenitrile;hydrochloride
CID 71757440
cyclohexanecarbonitrile;2-methylpropanenitrile
CID 118270870
oxalonitrile;tetrakis(propan-2-ol)
CID 175130826
acetonitrile;hydron
CID 22154984
(2S)-2-(15N)azanyl-3-methylbutanenitrile
CID 101019785
3-methyl-2-sulfanylbutanenitrile
CID 144612060
2-(3-methylbutan-2-yl)propanedinitrile
CID 11788325
2,4-dimethyl-3-propan-2-ylpentanenitrile
CID 59610837

Frequently Asked Questions

What is the IUPAC name of hydron;bis(2-methylpropanenitrile)?
The IUPAC name of hydron;bis(2-methylpropanenitrile) (CID 174938927) is hydron;bis(2-methylpropanenitrile).
What is the SMILES notation for hydron;bis(2-methylpropanenitrile)?
The canonical SMILES for hydron;bis(2-methylpropanenitrile) is CC(C)C#N.CC(C)C#N.[H+].
What is the InChIKey of hydron;bis(2-methylpropanenitrile)?
The InChIKey is LKLVQOVSDUUTEB-UHFFFAOYSA-O. The full InChI is InChI=1S/2C4H7N/c2*1-4(2)3-5/h2*4H,1-2H3/p+1.
What are the key properties of hydron;bis(2-methylpropanenitrile)?
hydron;bis(2-methylpropanenitrile) has a molecular weight of 139.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;bis(2-methylpropanenitrile) is sourced from PubChem (CID 174938927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).