4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile

C11H22N2O2 — CID 62540990

IUPAC4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile
SMILESCOCCNC(C)(C#N)CC(C)(C)OC
InChIInChI=1S/C11H22N2O2/c1-10(2,15-5)8-11(3,9-12)13-6-7-14-4/h13H,6-8H2,1-5H3
InChIKeyJKICJOMGNLOAHU-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.32
Rot. Bonds7

About 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile

4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile (PubChem CID 62540990) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile
PubChem CID62540990
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile
SMILESCOCCNC(C)(C#N)CC(C)(C)OC
InChIInChI=1S/C11H22N2O2/c1-10(2,15-5)8-11(3,9-12)13-6-7-14-4/h13H,6-8H2,1-5H3
InChIKeyJKICJOMGNLOAHU-UHFFFAOYSA-N
XLogP1.32
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile?
The IUPAC name of 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile (CID 62540990) is 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile.
What is the SMILES notation for 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile?
The canonical SMILES for 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile is COCCNC(C)(C#N)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile?
The InChIKey is JKICJOMGNLOAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,15-5)8-11(3,9-12)13-6-7-14-4/h13H,6-8H2,1-5H3.
What are the key properties of 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile?
4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile has a molecular weight of 214.31 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methoxyethylamino)-2,4-dimethylpentanenitrile is sourced from PubChem (CID 62540990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).