2,3,3,4,4-pentamethylpentanenitrile

C10H19N — CID 130181937

IUPAC2,3,3,4,4-pentamethylpentanenitrile
SMILESCC(C#N)C(C)(C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-8(7-11)10(5,6)9(2,3)4/h8H,1-6H3
InChIKeyXXRDYBNJZYRGMA-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.22
Rot. Bonds1

About 2,3,3,4,4-pentamethylpentanenitrile

2,3,3,4,4-pentamethylpentanenitrile (PubChem CID 130181937) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,3,3,4,4-pentamethylpentanenitrile.

Molecular Properties

Compound Name2,3,3,4,4-pentamethylpentanenitrile
PubChem CID130181937
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,3,3,4,4-pentamethylpentanenitrile
SMILESCC(C#N)C(C)(C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-8(7-11)10(5,6)9(2,3)4/h8H,1-6H3
InChIKeyXXRDYBNJZYRGMA-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4-pentamethylpentanenitrile?
The IUPAC name of 2,3,3,4,4-pentamethylpentanenitrile (CID 130181937) is 2,3,3,4,4-pentamethylpentanenitrile.
What is the SMILES notation for 2,3,3,4,4-pentamethylpentanenitrile?
The canonical SMILES for 2,3,3,4,4-pentamethylpentanenitrile is CC(C#N)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,3,3,4,4-pentamethylpentanenitrile?
The InChIKey is XXRDYBNJZYRGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(7-11)10(5,6)9(2,3)4/h8H,1-6H3.
What are the key properties of 2,3,3,4,4-pentamethylpentanenitrile?
2,3,3,4,4-pentamethylpentanenitrile has a molecular weight of 153.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4-pentamethylpentanenitrile is sourced from PubChem (CID 130181937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).