3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile

C14H28N2O4 — CID 104564842

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)COCCOCCOCCOC
InChIInChI=1S/C14H28N2O4/c1-4-5-16-14(2,12-15)13-20-11-10-19-9-8-18-7-6-17-3/h16H,4-11,13H2,1-3H3
InChIKeyXFCDSBCFAVDHJN-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.96
Rot. Bonds14

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile (PubChem CID 104564842) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
PubChem CID104564842
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
SMILESCCCNC(C)(C#N)COCCOCCOCCOC
InChIInChI=1S/C14H28N2O4/c1-4-5-16-14(2,12-15)13-20-11-10-19-9-8-18-7-6-17-3/h16H,4-11,13H2,1-3H3
InChIKeyXFCDSBCFAVDHJN-UHFFFAOYSA-N
XLogP0.96
TPSA72.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
CID 104564930
2-(ethylamino)-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutanenitrile
CID 104564895
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile
CID 62384117
3-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propylamino)propan-1-ol
CID 104567766
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(propylamino)pentanenitrile
CID 106804978
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanenitrile
CID 64728036
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 63007904
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64726523
6-[2-methoxyethyl(propan-2-yl)amino]-2-methyl-2-(propylamino)hexanenitrile
CID 82960130
4-(2-cyclobutylethoxy)-2-methyl-2-(propylamino)butanenitrile
CID 106204201

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile (CID 104564842) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile is CCCNC(C)(C#N)COCCOCCOCCOC.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile?
The InChIKey is XFCDSBCFAVDHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-4-5-16-14(2,12-15)13-20-11-10-19-9-8-18-7-6-17-3/h16H,4-11,13H2,1-3H3.
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile has a molecular weight of 288.39 g/mol, XLogP of 0.96, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 104564842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).