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

C8H16N2O — CID 61448271

IUPAC3-[ethyl(2-methoxyethyl)amino]propanenitrile
SMILESCCN(CCC#N)CCOC
InChIInChI=1S/C8H16N2O/c1-3-10(6-4-5-9)7-8-11-2/h3-4,6-8H2,1-2H3
InChIKeyWJLCUHKZVUGCND-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.87
Rot. Bonds6

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

3-[ethyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 61448271) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)amino]propanenitrile
PubChem CID61448271
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-[ethyl(2-methoxyethyl)amino]propanenitrile
SMILESCCN(CCC#N)CCOC
InChIInChI=1S/C8H16N2O/c1-3-10(6-4-5-9)7-8-11-2/h3-4,6-8H2,1-2H3
InChIKeyWJLCUHKZVUGCND-UHFFFAOYSA-N
XLogP0.87
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl(2-methoxyethyl)amino]propanenitrile (CID 61448271) is 3-[ethyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)amino]propanenitrile is CCN(CCC#N)CCOC.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is WJLCUHKZVUGCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-10(6-4-5-9)7-8-11-2/h3-4,6-8H2,1-2H3.
What are the key properties of 3-[ethyl(2-methoxyethyl)amino]propanenitrile?
3-[ethyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 61448271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).