2-(3-hydroxypropylamino)pentanenitrile

C8H16N2O — CID 57028033

IUPAC2-(3-hydroxypropylamino)pentanenitrile
SMILESCCCC(C#N)NCCCO
InChIInChI=1S/C8H16N2O/c1-2-4-8(7-9)10-5-3-6-11/h8,10-11H,2-6H2,1H3
InChIKeyGGBMBOYIGARGHF-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.65
Rot. Bonds6

About 2-(3-hydroxypropylamino)pentanenitrile

2-(3-hydroxypropylamino)pentanenitrile (PubChem CID 57028033) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)pentanenitrile.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)pentanenitrile
PubChem CID57028033
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(3-hydroxypropylamino)pentanenitrile
SMILESCCCC(C#N)NCCCO
InChIInChI=1S/C8H16N2O/c1-2-4-8(7-9)10-5-3-6-11/h8,10-11H,2-6H2,1H3
InChIKeyGGBMBOYIGARGHF-UHFFFAOYSA-N
XLogP0.65
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.65
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 2-(3-hydroxypropylamino)pentanenitrile?
The IUPAC name of 2-(3-hydroxypropylamino)pentanenitrile (CID 57028033) is 2-(3-hydroxypropylamino)pentanenitrile.
What is the SMILES notation for 2-(3-hydroxypropylamino)pentanenitrile?
The canonical SMILES for 2-(3-hydroxypropylamino)pentanenitrile is CCCC(C#N)NCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)pentanenitrile?
The InChIKey is GGBMBOYIGARGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-4-8(7-9)10-5-3-6-11/h8,10-11H,2-6H2,1H3.
What are the key properties of 2-(3-hydroxypropylamino)pentanenitrile?
2-(3-hydroxypropylamino)pentanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)pentanenitrile is sourced from PubChem (CID 57028033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).