2-(2-hydroxyethylamino)propanenitrile

C5H10N2O — CID 15031685

IUPAC2-(2-hydroxyethylamino)propanenitrile
SMILESCC(C#N)NCCO
InChIInChI=1S/C5H10N2O/c1-5(4-6)7-2-3-8/h5,7-8H,2-3H2,1H3
InChIKeyPTGCLXJVRRGUAP-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.52
Rot. Bonds3

About 2-(2-hydroxyethylamino)propanenitrile

2-(2-hydroxyethylamino)propanenitrile (PubChem CID 15031685) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)propanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)propanenitrile
PubChem CID15031685
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-(2-hydroxyethylamino)propanenitrile
SMILESCC(C#N)NCCO
InChIInChI=1S/C5H10N2O/c1-5(4-6)7-2-3-8/h5,7-8H,2-3H2,1H3
InChIKeyPTGCLXJVRRGUAP-UHFFFAOYSA-N
XLogP-0.52
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)propanenitrile?
The IUPAC name of 2-(2-hydroxyethylamino)propanenitrile (CID 15031685) is 2-(2-hydroxyethylamino)propanenitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)propanenitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)propanenitrile is CC(C#N)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)propanenitrile?
The InChIKey is PTGCLXJVRRGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(4-6)7-2-3-8/h5,7-8H,2-3H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)propanenitrile?
2-(2-hydroxyethylamino)propanenitrile has a molecular weight of 114.15 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)propanenitrile is sourced from PubChem (CID 15031685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).