3-(2-hydroxyethylamino)pentanenitrile

C7H14N2O — CID 43498331

IUPAC3-(2-hydroxyethylamino)pentanenitrile
SMILESCCC(CC#N)NCCO
InChIInChI=1S/C7H14N2O/c1-2-7(3-4-8)9-5-6-10/h7,9-10H,2-3,5-6H2,1H3
InChIKeyIUMXKZLHMZJIQA-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.26
Rot. Bonds5

About 3-(2-hydroxyethylamino)pentanenitrile

3-(2-hydroxyethylamino)pentanenitrile (PubChem CID 43498331) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)pentanenitrile.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)pentanenitrile
PubChem CID43498331
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-(2-hydroxyethylamino)pentanenitrile
SMILESCCC(CC#N)NCCO
InChIInChI=1S/C7H14N2O/c1-2-7(3-4-8)9-5-6-10/h7,9-10H,2-3,5-6H2,1H3
InChIKeyIUMXKZLHMZJIQA-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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Related Compounds

2-[(1-Methylpropyl)amino]ethanol
CID 98429
Propionitrile, 2-(2-hydroxyethyl)amino-2-methyl-
CID 114246
Propanenitrile, 3-((2-hydroxypropyl)amino
CID 20288957
2-[(1-Ethylpropyl)amino]ethanol
CID 245049
3-[(2-Hydroxyethyl)amino]propanenitrile
CID 12937371
2-[(2-Hydroxyethyl)amino]propanenitrile
CID 15031685
3-[(3,3-Difluoro-2-hydroxypropyl)amino]butanenitrile
CID 103731773
2-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]butanenitrile
CID 105644866
3-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]pentanenitrile
CID 105644984
2-[(3,3-Difluoro-2-hydroxypropyl)amino]butanenitrile
CID 105645343
3-[(3,3-Difluoro-2-hydroxypropyl)amino]pentanenitrile
CID 105645638
2-Aminoethanol;3-(methylamino)propanenitrile
CID 19981000

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)pentanenitrile?
The IUPAC name of 3-(2-hydroxyethylamino)pentanenitrile (CID 43498331) is 3-(2-hydroxyethylamino)pentanenitrile.
What is the SMILES notation for 3-(2-hydroxyethylamino)pentanenitrile?
The canonical SMILES for 3-(2-hydroxyethylamino)pentanenitrile is CCC(CC#N)NCCO.
What is the InChIKey of 3-(2-hydroxyethylamino)pentanenitrile?
The InChIKey is IUMXKZLHMZJIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-7(3-4-8)9-5-6-10/h7,9-10H,2-3,5-6H2,1H3.
What are the key properties of 3-(2-hydroxyethylamino)pentanenitrile?
3-(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 3-(2-hydroxyethylamino)pentanenitrile is sourced from PubChem (CID 43498331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).