5-(2-hydroxyethylamino)pentanenitrile

C7H14N2O — CID 60684517

IUPAC5-(2-hydroxyethylamino)pentanenitrile
SMILESN#CCCCCNCCO
InChIInChI=1S/C7H14N2O/c8-4-2-1-3-5-9-6-7-10/h9-10H,1-3,5-7H2
InChIKeyMMPGBZOQSLPHOC-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.26
Rot. Bonds6

About 5-(2-hydroxyethylamino)pentanenitrile

5-(2-hydroxyethylamino)pentanenitrile (PubChem CID 60684517) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)pentanenitrile
PubChem CID60684517
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name5-(2-hydroxyethylamino)pentanenitrile
SMILESN#CCCCCNCCO
InChIInChI=1S/C7H14N2O/c8-4-2-1-3-5-9-6-7-10/h9-10H,1-3,5-7H2
InChIKeyMMPGBZOQSLPHOC-UHFFFAOYSA-N
XLogP0.26
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)pentanenitrile?
The IUPAC name of 5-(2-hydroxyethylamino)pentanenitrile (CID 60684517) is 5-(2-hydroxyethylamino)pentanenitrile.
What is the SMILES notation for 5-(2-hydroxyethylamino)pentanenitrile?
The canonical SMILES for 5-(2-hydroxyethylamino)pentanenitrile is N#CCCCCNCCO.
What is the InChIKey of 5-(2-hydroxyethylamino)pentanenitrile?
The InChIKey is MMPGBZOQSLPHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c8-4-2-1-3-5-9-6-7-10/h9-10H,1-3,5-7H2.
What are the key properties of 5-(2-hydroxyethylamino)pentanenitrile?
5-(2-hydroxyethylamino)pentanenitrile has a molecular weight of 142.20 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)pentanenitrile is sourced from PubChem (CID 60684517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).