5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile

C11H22N2O — CID 65253918

IUPAC5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile
SMILESCCOCCNCCCC(C)(C)C#N
InChIInChI=1S/C11H22N2O/c1-4-14-9-8-13-7-5-6-11(2,3)10-12/h13H,4-9H2,1-3H3
InChIKeyWZGQSOBGONZIRN-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.94
Rot. Bonds8

About 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile

5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile (PubChem CID 65253918) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile
PubChem CID65253918
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile
SMILESCCOCCNCCCC(C)(C)C#N
InChIInChI=1S/C11H22N2O/c1-4-14-9-8-13-7-5-6-11(2,3)10-12/h13H,4-9H2,1-3H3
InChIKeyWZGQSOBGONZIRN-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile (CID 65253918) is 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile is CCOCCNCCCC(C)(C)C#N.
What is the InChIKey of 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile?
The InChIKey is WZGQSOBGONZIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-14-9-8-13-7-5-6-11(2,3)10-12/h13H,4-9H2,1-3H3.
What are the key properties of 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile?
5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile has a molecular weight of 198.31 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethylamino)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65253918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).