2,3,3-trimethylpentanedinitrile

C8H12N2 — CID 20521420

IUPAC2,3,3-trimethylpentanedinitrile
SMILESCC(C#N)C(C)(C)CC#N
InChIInChI=1S/C8H12N2/c1-7(6-10)8(2,3)4-5-9/h7H,4H2,1-3H3
InChIKeyHWWOHMMQTVKWAP-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.09
Rot. Bonds2

About 2,3,3-trimethylpentanedinitrile

2,3,3-trimethylpentanedinitrile (PubChem CID 20521420) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,3,3-trimethylpentanedinitrile.

Molecular Properties

Compound Name2,3,3-trimethylpentanedinitrile
PubChem CID20521420
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,3,3-trimethylpentanedinitrile
SMILESCC(C#N)C(C)(C)CC#N
InChIInChI=1S/C8H12N2/c1-7(6-10)8(2,3)4-5-9/h7H,4H2,1-3H3
InChIKeyHWWOHMMQTVKWAP-UHFFFAOYSA-N
XLogP2.09
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylpentanedinitrile?
The IUPAC name of 2,3,3-trimethylpentanedinitrile (CID 20521420) is 2,3,3-trimethylpentanedinitrile.
What is the SMILES notation for 2,3,3-trimethylpentanedinitrile?
The canonical SMILES for 2,3,3-trimethylpentanedinitrile is CC(C#N)C(C)(C)CC#N.
What is the InChIKey of 2,3,3-trimethylpentanedinitrile?
The InChIKey is HWWOHMMQTVKWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(6-10)8(2,3)4-5-9/h7H,4H2,1-3H3.
What are the key properties of 2,3,3-trimethylpentanedinitrile?
2,3,3-trimethylpentanedinitrile has a molecular weight of 136.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylpentanedinitrile is sourced from PubChem (CID 20521420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).