2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile

C12H24N2O — CID 106804405

IUPAC2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile
SMILESCCNC(C#N)(CC)CCCOC(C)C
InChIInChI=1S/C12H24N2O/c1-5-12(10-13,14-6-2)8-7-9-15-11(3)4/h11,14H,5-9H2,1-4H3
InChIKeyOJBUVOWEGSXBLS-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds8

About 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile

2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile (PubChem CID 106804405) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile
PubChem CID106804405
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile
SMILESCCNC(C#N)(CC)CCCOC(C)C
InChIInChI=1S/C12H24N2O/c1-5-12(10-13,14-6-2)8-7-9-15-11(3)4/h11,14H,5-9H2,1-4H3
InChIKeyOJBUVOWEGSXBLS-UHFFFAOYSA-N
XLogP2.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
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-2-(ethylamino)-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanenitrile
CID 106804946
5-(4-ethoxyphenoxy)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804498
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803296
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804829
2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile
CID 106805031
2-ethyl-2-(ethylamino)-5-(2,3,6-trimethylphenoxy)pentanenitrile
CID 106804621
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 106803158
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
CID 106804355
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile (CID 106804405) is 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile is CCNC(C#N)(CC)CCCOC(C)C.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile?
The InChIKey is OJBUVOWEGSXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-12(10-13,14-6-2)8-7-9-15-11(3)4/h11,14H,5-9H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile?
2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile is sourced from PubChem (CID 106804405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).