2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile

C15H30N2O4 — CID 104564868

IUPAC2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCOCCOCCOCCOC
InChIInChI=1S/C15H30N2O4/c1-4-17-15(2,14-16)6-5-7-19-10-11-21-13-12-20-9-8-18-3/h17H,4-13H2,1-3H3
InChIKeyWHJOVOBYCIJTDK-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.35
Rot. Bonds15

About 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile

2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile (PubChem CID 104564868) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
PubChem CID104564868
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCOCCOCCOCCOC
InChIInChI=1S/C15H30N2O4/c1-4-17-15(2,14-16)6-5-7-19-10-11-21-13-12-20-9-8-18-3/h17H,4-13H2,1-3H3
InChIKeyWHJOVOBYCIJTDK-UHFFFAOYSA-N
XLogP1.35
TPSA72.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
5-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 66225414
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
2-amino-5-[3-(2-methoxyethoxy)propoxy]-2-methylpentanenitrile
CID 103404479
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958525

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile?
The IUPAC name of 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile (CID 104564868) is 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile.
What is the SMILES notation for 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile?
The canonical SMILES for 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile is CCNC(C)(C#N)CCCOCCOCCOCCOC.
What is the InChIKey of 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile?
The InChIKey is WHJOVOBYCIJTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-4-17-15(2,14-16)6-5-7-19-10-11-21-13-12-20-9-8-18-3/h17H,4-13H2,1-3H3.
What are the key properties of 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile?
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile has a molecular weight of 302.42 g/mol, XLogP of 1.35, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile is sourced from PubChem (CID 104564868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).