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

C7H14N2O — CID 39161561

IUPAC3-[ethyl(2-hydroxyethyl)amino]propanenitrile
SMILESCCN(CCO)CCC#N
InChIInChI=1S/C7H14N2O/c1-2-9(6-7-10)5-3-4-8/h10H,2-3,5-7H2,1H3
InChIKeyJOGVCMRQCJYZPI-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.21
Rot. Bonds5

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

3-[ethyl(2-hydroxyethyl)amino]propanenitrile (PubChem CID 39161561) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]propanenitrile
PubChem CID39161561
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]propanenitrile
SMILESCCN(CCO)CCC#N
InChIInChI=1S/C7H14N2O/c1-2-9(6-7-10)5-3-4-8/h10H,2-3,5-7H2,1H3
InChIKeyJOGVCMRQCJYZPI-UHFFFAOYSA-N
XLogP0.21
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]propanenitrile (CID 39161561) is 3-[ethyl(2-hydroxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]propanenitrile is CCN(CCO)CCC#N.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]propanenitrile?
The InChIKey is JOGVCMRQCJYZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-9(6-7-10)5-3-4-8/h10H,2-3,5-7H2,1H3.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]propanenitrile?
3-[ethyl(2-hydroxyethyl)amino]propanenitrile has a molecular weight of 142.20 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]propanenitrile is sourced from PubChem (CID 39161561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).