2-(2-hydroxyethylamino)pentanenitrile

C7H14N2O — CID 62586058

IUPAC2-(2-hydroxyethylamino)pentanenitrile
SMILESCCCC(C#N)NCCO
InChIInChI=1S/C7H14N2O/c1-2-3-7(6-8)9-4-5-10/h7,9-10H,2-5H2,1H3
InChIKeyZDUBGVSNFRNNDY-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.26
Rot. Bonds5

About 2-(2-hydroxyethylamino)pentanenitrile

2-(2-hydroxyethylamino)pentanenitrile (PubChem CID 62586058) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)pentanenitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)pentanenitrile
PubChem CID62586058
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(2-hydroxyethylamino)pentanenitrile
SMILESCCCC(C#N)NCCO
InChIInChI=1S/C7H14N2O/c1-2-3-7(6-8)9-4-5-10/h7,9-10H,2-5H2,1H3
InChIKeyZDUBGVSNFRNNDY-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)pentanenitrile?
The IUPAC name of 2-(2-hydroxyethylamino)pentanenitrile (CID 62586058) is 2-(2-hydroxyethylamino)pentanenitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)pentanenitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)pentanenitrile is CCCC(C#N)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)pentanenitrile?
The InChIKey is ZDUBGVSNFRNNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-7(6-8)9-4-5-10/h7,9-10H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)pentanenitrile?
2-(2-hydroxyethylamino)pentanenitrile has a molecular weight of 142.20 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)pentanenitrile is sourced from PubChem (CID 62586058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).