5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile

C11H22N2O2 — CID 65254266

IUPAC5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNCCOCCO
InChIInChI=1S/C11H22N2O2/c1-11(2,10-12)4-3-5-13-6-8-15-9-7-14/h13-14H,3-9H2,1-2H3
InChIKeyJVRWCCIYWNUUKM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.91
Rot. Bonds9

About 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile

5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile (PubChem CID 65254266) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
PubChem CID65254266
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCNCCOCCO
InChIInChI=1S/C11H22N2O2/c1-11(2,10-12)4-3-5-13-6-8-15-9-7-14/h13-14H,3-9H2,1-2H3
InChIKeyJVRWCCIYWNUUKM-UHFFFAOYSA-N
XLogP0.91
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-ethoxypropylamino)-2,2-dimethylpentanenitrile
CID 65256696
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
CID 106713108
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
4-[2-(3-hydroxypropylsulfanyl)ethylamino]-2,2-dimethylbutanenitrile
CID 106310264
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
2-[3-(2-propoxyethylamino)propoxy]ethanol
CID 106310032
2-[2-(heptylamino)ethoxy]ethanol
CID 4712323
2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884
2-[2-(3-propoxypropylamino)ethoxy]ethanol
CID 82944061

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile (CID 65254266) is 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCNCCOCCO.
What is the InChIKey of 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile?
The InChIKey is JVRWCCIYWNUUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,10-12)4-3-5-13-6-8-15-9-7-14/h13-14H,3-9H2,1-2H3.
What are the key properties of 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile?
5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile has a molecular weight of 214.31 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethoxy)ethylamino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65254266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).