5-(2-but-3-enoxyethylamino)pentanenitrile

C11H20N2O — CID 106401384

IUPAC5-(2-but-3-enoxyethylamino)pentanenitrile
SMILESC=CCCOCCNCCCCC#N
InChIInChI=1S/C11H20N2O/c1-2-3-10-14-11-9-13-8-6-4-5-7-12/h2,13H,1,3-6,8-11H2
InChIKeyHCKXZNQXGMXCQE-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.86
Rot. Bonds10

About 5-(2-but-3-enoxyethylamino)pentanenitrile

5-(2-but-3-enoxyethylamino)pentanenitrile (PubChem CID 106401384) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(2-but-3-enoxyethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2-but-3-enoxyethylamino)pentanenitrile
PubChem CID106401384
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-(2-but-3-enoxyethylamino)pentanenitrile
SMILESC=CCCOCCNCCCCC#N
InChIInChI=1S/C11H20N2O/c1-2-3-10-14-11-9-13-8-6-4-5-7-12/h2,13H,1,3-6,8-11H2
InChIKeyHCKXZNQXGMXCQE-UHFFFAOYSA-N
XLogP1.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-but-3-enoxyethylamino)pentanenitrile?
The IUPAC name of 5-(2-but-3-enoxyethylamino)pentanenitrile (CID 106401384) is 5-(2-but-3-enoxyethylamino)pentanenitrile.
What is the SMILES notation for 5-(2-but-3-enoxyethylamino)pentanenitrile?
The canonical SMILES for 5-(2-but-3-enoxyethylamino)pentanenitrile is C=CCCOCCNCCCCC#N.
What is the InChIKey of 5-(2-but-3-enoxyethylamino)pentanenitrile?
The InChIKey is HCKXZNQXGMXCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-10-14-11-9-13-8-6-4-5-7-12/h2,13H,1,3-6,8-11H2.
What are the key properties of 5-(2-but-3-enoxyethylamino)pentanenitrile?
5-(2-but-3-enoxyethylamino)pentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-but-3-enoxyethylamino)pentanenitrile is sourced from PubChem (CID 106401384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).