5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile

C17H32N2O — CID 106804829

IUPAC5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCOC1CC(C)CC(C)C1
InChIInChI=1S/C17H32N2O/c1-5-17(13-18,19-6-2)8-7-9-20-16-11-14(3)10-15(4)12-16/h14-16,19H,5-12H2,1-4H3
InChIKeyLINCYTOMZXZAGG-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.89
Rot. Bonds8

About 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile

5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106804829) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106804829
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCOC1CC(C)CC(C)C1
InChIInChI=1S/C17H32N2O/c1-5-17(13-18,19-6-2)8-7-9-20-16-11-14(3)10-15(4)12-16/h14-16,19H,5-12H2,1-4H3
InChIKeyLINCYTOMZXZAGG-UHFFFAOYSA-N
XLogP3.89
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.89
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

5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
CID 106804922
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106810616
2-ethyl-2-(ethylamino)-5-propan-2-yloxypentanenitrile
CID 106804405
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
CID 106804715
5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803999
2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile
CID 106804826
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-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106802865
2-ethyl-2-(ethylamino)-5-(2-methoxyethylsulfanyl)pentanenitrile
CID 106805031
2-ethyl-2-(ethylamino)-5-(2,3,6-trimethylphenoxy)pentanenitrile
CID 106804621

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile (CID 106804829) is 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile is CCNC(C#N)(CC)CCCOC1CC(C)CC(C)C1.
What is the InChIKey of 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is LINCYTOMZXZAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-17(13-18,19-6-2)8-7-9-20-16-11-14(3)10-15(4)12-16/h14-16,19H,5-12H2,1-4H3.
What are the key properties of 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile?
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 280.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile is sourced from PubChem (CID 106804829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).