2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile

C15H30N2O — CID 106804355

IUPAC2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCOC(C)(C)CC
InChIInChI=1S/C15H30N2O/c1-6-11-17-15(8-3,13-16)10-9-12-18-14(4,5)7-2/h17H,6-12H2,1-5H3
InChIKeyDBPZWOHZMSYJDB-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.64
Rot. Bonds10

About 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile

2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile (PubChem CID 106804355) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
PubChem CID106804355
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCOC(C)(C)CC
InChIInChI=1S/C15H30N2O/c1-6-11-17-15(8-3,13-16)10-9-12-18-14(4,5)7-2/h17H,6-12H2,1-5H3
InChIKeyDBPZWOHZMSYJDB-UHFFFAOYSA-N
XLogP3.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.64
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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Related Compounds

2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
CID 106804715
2-ethyl-5-(3-methoxyphenoxy)-2-(propylamino)pentanenitrile
CID 106804523
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propylamino)pentanenitrile
CID 106805061
2-propyl-2-(propylamino)pentanenitrile
CID 28900772
2-ethyl-2-(3-hydroxypropylamino)hexanenitrile
CID 63952049
5-(3,4-dimethoxypyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106804079
2-ethyl-5-(3-methylbutylsulfanyl)-2-(propylamino)pentanenitrile
CID 107755114
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
5-cyclohexylsulfanyl-2-ethyl-2-(propylamino)pentanenitrile
CID 106805261

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile (CID 106804355) is 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile is CCCNC(C#N)(CC)CCCOC(C)(C)CC.
What is the InChIKey of 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile?
The InChIKey is DBPZWOHZMSYJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-11-17-15(8-3,13-16)10-9-12-18-14(4,5)7-2/h17H,6-12H2,1-5H3.
What are the key properties of 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile?
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile has a molecular weight of 254.42 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile is sourced from PubChem (CID 106804355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).