2,2,4-trimethylpentanenitrile

C8H15N — CID 549589

IUPAC2,2,4-trimethylpentanenitrile
SMILESCC(C)CC(C)(C)C#N
InChIInChI=1S/C8H15N/c1-7(2)5-8(3,4)6-9/h7H,5H2,1-4H3
InChIKeyFSKRSJMYNXGUBM-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.58
Rot. Bonds2

About 2,2,4-trimethylpentanenitrile

2,2,4-trimethylpentanenitrile (PubChem CID 549589) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2,2,4-trimethylpentanenitrile.

Molecular Properties

Compound Name2,2,4-trimethylpentanenitrile
PubChem CID549589
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2,2,4-trimethylpentanenitrile
SMILESCC(C)CC(C)(C)C#N
InChIInChI=1S/C8H15N/c1-7(2)5-8(3,4)6-9/h7H,5H2,1-4H3
InChIKeyFSKRSJMYNXGUBM-UHFFFAOYSA-N
XLogP2.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylpentanenitrile?
The IUPAC name of 2,2,4-trimethylpentanenitrile (CID 549589) is 2,2,4-trimethylpentanenitrile.
What is the SMILES notation for 2,2,4-trimethylpentanenitrile?
The canonical SMILES for 2,2,4-trimethylpentanenitrile is CC(C)CC(C)(C)C#N.
What is the InChIKey of 2,2,4-trimethylpentanenitrile?
The InChIKey is FSKRSJMYNXGUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)5-8(3,4)6-9/h7H,5H2,1-4H3.
What are the key properties of 2,2,4-trimethylpentanenitrile?
2,2,4-trimethylpentanenitrile has a molecular weight of 125.21 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylpentanenitrile is sourced from PubChem (CID 549589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).