3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile

C14H25N3O2 — CID 54560247

IUPAC3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile
SMILESCCN(CCOCC(C)C#N)CCOCC(C)C#N
InChIInChI=1S/C14H25N3O2/c1-4-17(5-7-18-11-13(2)9-15)6-8-19-12-14(3)10-16/h13-14H,4-8,11-12H2,1-3H3
InChIKeyZQAPTKNMWGLJBD-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.66
Rot. Bonds11

About 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile

3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile (PubChem CID 54560247) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile
PubChem CID54560247
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile
SMILESCCN(CCOCC(C)C#N)CCOCC(C)C#N
InChIInChI=1S/C14H25N3O2/c1-4-17(5-7-18-11-13(2)9-15)6-8-19-12-14(3)10-16/h13-14H,4-8,11-12H2,1-3H3
InChIKeyZQAPTKNMWGLJBD-UHFFFAOYSA-N
XLogP1.66
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63692096
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
3-[ethyl-[2-(2-methylpropoxy)ethyl]amino]propanethioamide
CID 106452807
3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
CID 63690873
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234
2-[ethyl-[2-(2-methylpropoxy)ethyl]amino]ethanethioamide
CID 106452819
2-methyl-3-(2-pyridin-2-ylethoxy)propanenitrile
CID 43174893
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
CID 81105423

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile?
The IUPAC name of 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile (CID 54560247) is 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile?
The canonical SMILES for 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile is CCN(CCOCC(C)C#N)CCOCC(C)C#N.
What is the InChIKey of 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile?
The InChIKey is ZQAPTKNMWGLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-17(5-7-18-11-13(2)9-15)6-8-19-12-14(3)10-16/h13-14H,4-8,11-12H2,1-3H3.
What are the key properties of 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile?
3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile has a molecular weight of 267.37 g/mol, XLogP of 1.66, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile is sourced from PubChem (CID 54560247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).