2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile

C14H26N2O3 — CID 103179775

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

About 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile

2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile (PubChem CID 103179775) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile
PubChem CID103179775
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile
SMILESCCNC(C#N)(COCCOCCCOC)C1CC1
InChIInChI=1S/C14H26N2O3/c1-3-16-14(11-15,13-5-6-13)12-19-10-9-18-8-4-7-17-2/h13,16H,3-10,12H2,1-2H3
InChIKeyOVXIHFMFPDSJMQ-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-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
CID 104564930
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanenitrile
CID 63906273
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile
CID 104564908
2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
CID 63907548
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913780
3-(2-butoxyethoxy)-2-cyclopropyl-2-(cyclopropylamino)propanenitrile
CID 63907116
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
CID 63908192
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
2-cyclopropyl-3-(3,5-dimethylphenoxy)-2-(ethylamino)propanenitrile
CID 63907144
2-cyclopropyl-3-(2-methylpropoxy)-2-(propylamino)propanenitrile
CID 63906489
3-(4-tert-butylphenoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63908608

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile (CID 103179775) is 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile is CCNC(C#N)(COCCOCCCOC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile?
The InChIKey is OVXIHFMFPDSJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-16-14(11-15,13-5-6-13)12-19-10-9-18-8-4-7-17-2/h13,16H,3-10,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile?
2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]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-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile is sourced from PubChem (CID 103179775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).