2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile

C12H24N2O3 — CID 104564895

IUPAC2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCOCCOCCOC
InChIInChI=1S/C12H24N2O3/c1-4-14-12(2,11-13)5-6-16-9-10-17-8-7-15-3/h14H,4-10H2,1-3H3
InChIKeyWXLDGBNDGPUEIQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.95
Rot. Bonds11

About 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile

2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile (PubChem CID 104564895) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
PubChem CID104564895
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCOCCOCCOC
InChIInChI=1S/C12H24N2O3/c1-4-14-12(2,11-13)5-6-16-9-10-17-8-7-15-3/h14H,4-10H2,1-3H3
InChIKeyWXLDGBNDGPUEIQ-UHFFFAOYSA-N
XLogP0.95
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
5-(3,3-dimethylbutoxy)-2-(ethylamino)-2-methylpentanenitrile
CID 66225414
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958525
2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanenitrile
CID 103404521
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 103179755
4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 82959910
methyl 2-cyano-4-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethyl]butanoate
CID 11587543
N-(2-cyano-4-methoxybutan-2-yl)acetamide
CID 166604136
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile?
The IUPAC name of 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile (CID 104564895) is 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile is CCNC(C)(C#N)CCOCCOCCOC.
What is the InChIKey of 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile?
The InChIKey is WXLDGBNDGPUEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-14-12(2,11-13)5-6-16-9-10-17-8-7-15-3/h14H,4-10H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile?
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile has a molecular weight of 244.33 g/mol, XLogP of 0.95, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile is sourced from PubChem (CID 104564895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).