3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile

C8H14N2O2 — CID 63285436

IUPAC3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
SMILESCOCCN(CC=O)CCC#N
InChIInChI=1S/C8H14N2O2/c1-12-8-6-10(5-7-11)4-2-3-9/h7H,2,4-6,8H2,1H3
InChIKeyJFSWCYHJJMMTQO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.05
Rot. Bonds7

About 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile

3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile (PubChem CID 63285436) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
PubChem CID63285436
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
SMILESCOCCN(CC=O)CCC#N
InChIInChI=1S/C8H14N2O2/c1-12-8-6-10(5-7-11)4-2-3-9/h7H,2,4-6,8H2,1H3
InChIKeyJFSWCYHJJMMTQO-UHFFFAOYSA-N
XLogP0.05
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanenitrile
CID 63286499
3-[2-methoxyethyl(piperidin-4-ylmethyl)amino]propanenitrile
CID 80554340
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 79167562
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
CID 63285080
3-[(3-bromo-2-methylpropyl)-(2-methoxyethyl)amino]propanenitrile
CID 64995233
propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
CID 63285599
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile (CID 63285436) is 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile is COCCN(CC=O)CCC#N.
What is the InChIKey of 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile?
The InChIKey is JFSWCYHJJMMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-12-8-6-10(5-7-11)4-2-3-9/h7H,2,4-6,8H2,1H3.
What are the key properties of 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile?
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile has a molecular weight of 170.21 g/mol, XLogP of 0.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile is sourced from PubChem (CID 63285436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).