5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile

C15H28N2O2 — CID 106804922

IUPAC5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCOC1CC(C)OC(C)C1)NC
InChIInChI=1S/C15H28N2O2/c1-5-15(11-16,17-4)7-6-8-18-14-9-12(2)19-13(3)10-14/h12-14,17H,5-10H2,1-4H3
InChIKeyHPSKOVXWKXZQAX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds7

About 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile

5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106804922) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106804922
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCC(C#N)(CCCOC1CC(C)OC(C)C1)NC
InChIInChI=1S/C15H28N2O2/c1-5-15(11-16,17-4)7-6-8-18-14-9-12(2)19-13(3)10-14/h12-14,17H,5-10H2,1-4H3
InChIKeyHPSKOVXWKXZQAX-UHFFFAOYSA-N
XLogP2.63
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
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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Related Compounds

5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804829
2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile
CID 106804826
5-(2,6-dimethylmorpholin-4-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802864
5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804379
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
CID 106804715
2-ethyl-2-(methylamino)-5-(2,3,5,6-tetrafluorophenoxy)pentanenitrile
CID 106804976
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804900
2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
CID 106804620
2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile
CID 106804865
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
5-(1,3-benzodioxol-5-yloxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804442
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804515

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile (CID 106804922) is 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile is CCC(C#N)(CCCOC1CC(C)OC(C)C1)NC.
What is the InChIKey of 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is HPSKOVXWKXZQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-15(11-16,17-4)7-6-8-18-14-9-12(2)19-13(3)10-14/h12-14,17H,5-10H2,1-4H3.
What are the key properties of 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile?
5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 268.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106804922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).