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

C14H26N2O3 — CID 104564930

IUPAC2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COCCOCCOC)C1CC1
InChIInChI=1S/C14H26N2O3/c1-3-6-16-14(11-15,13-4-5-13)12-19-10-9-18-8-7-17-2/h13,16H,3-10,12H2,1-2H3
InChIKeyNKPQYOMFSWJYDR-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.34
Rot. Bonds12

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

2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile (PubChem CID 104564930) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
PubChem CID104564930
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COCCOCCOC)C1CC1
InChIInChI=1S/C14H26N2O3/c1-3-6-16-14(11-15,13-4-5-13)12-19-10-9-18-8-7-17-2/h13,16H,3-10,12H2,1-2H3
InChIKeyNKPQYOMFSWJYDR-UHFFFAOYSA-N
XLogP1.34
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.34
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-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile
CID 103179775
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile
CID 104564908
2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile
CID 63906489
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanenitrile
CID 63906273
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(propylamino)propanenitrile
CID 104564842
3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63907116
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63907051
2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(propylamino)propanenitrile
CID 64728826
2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66274624
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
CID 63907548

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile (CID 104564930) is 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile is CCCNC(C#N)(COCCOCCOC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile?
The InChIKey is NKPQYOMFSWJYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-6-16-14(11-15,13-4-5-13)12-19-10-9-18-8-7-17-2/h13,16H,3-10,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile?
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile has a molecular weight of 270.37 g/mol, XLogP of 1.34, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile is sourced from PubChem (CID 104564930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).