5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile

C12H24N2O2 — CID 106804379

IUPAC5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCOCCOCCCC(C#N)(CC)NC
InChIInChI=1S/C12H24N2O2/c1-4-12(11-13,14-3)7-6-8-16-10-9-15-5-2/h14H,4-10H2,1-3H3
InChIKeyBCGTUNCCKUUZTR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.71
Rot. Bonds10

About 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile

5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106804379) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106804379
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCOCCOCCCC(C#N)(CC)NC
InChIInChI=1S/C12H24N2O2/c1-4-12(11-13,14-3)7-6-8-16-10-9-15-5-2/h14H,4-10H2,1-3H3
InChIKeyBCGTUNCCKUUZTR-UHFFFAOYSA-N
XLogP1.71
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.71
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

2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile
CID 106804865
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804900
5-(2-ethoxyphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804515
2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
CID 106804620
5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
CID 106804922
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-ethyl-2-(methylamino)-5-(2,3,5,6-tetrafluorophenoxy)pentanenitrile
CID 106804976
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306
5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895
2-ethyl-2-(propan-2-ylamino)-5-(4,4,4-trifluorobutoxy)pentanenitrile
CID 106804907

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile (CID 106804379) is 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile is CCOCCOCCCC(C#N)(CC)NC.
What is the InChIKey of 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is BCGTUNCCKUUZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(11-13,14-3)7-6-8-16-10-9-15-5-2/h14H,4-10H2,1-3H3.
What are the key properties of 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile?
5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 228.34 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106804379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).