4-(2-cyclopentyloxyethylamino)butanenitrile

C11H20N2O — CID 63827839

IUPAC4-(2-cyclopentyloxyethylamino)butanenitrile
SMILESN#CCCCNCCOC1CCCC1
InChIInChI=1S/C11H20N2O/c12-7-3-4-8-13-9-10-14-11-5-1-2-6-11/h11,13H,1-6,8-10H2
InChIKeyVENYVYYORUBOQG-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds7

About 4-(2-cyclopentyloxyethylamino)butanenitrile

4-(2-cyclopentyloxyethylamino)butanenitrile (PubChem CID 63827839) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(2-cyclopentyloxyethylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-cyclopentyloxyethylamino)butanenitrile
PubChem CID63827839
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(2-cyclopentyloxyethylamino)butanenitrile
SMILESN#CCCCNCCOC1CCCC1
InChIInChI=1S/C11H20N2O/c12-7-3-4-8-13-9-10-14-11-5-1-2-6-11/h11,13H,1-6,8-10H2
InChIKeyVENYVYYORUBOQG-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 4-(2-cyclopentyloxyethylamino)butanenitrile?
The IUPAC name of 4-(2-cyclopentyloxyethylamino)butanenitrile (CID 63827839) is 4-(2-cyclopentyloxyethylamino)butanenitrile.
What is the SMILES notation for 4-(2-cyclopentyloxyethylamino)butanenitrile?
The canonical SMILES for 4-(2-cyclopentyloxyethylamino)butanenitrile is N#CCCCNCCOC1CCCC1.
What is the InChIKey of 4-(2-cyclopentyloxyethylamino)butanenitrile?
The InChIKey is VENYVYYORUBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-7-3-4-8-13-9-10-14-11-5-1-2-6-11/h11,13H,1-6,8-10H2.
What are the key properties of 4-(2-cyclopentyloxyethylamino)butanenitrile?
4-(2-cyclopentyloxyethylamino)butanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxyethylamino)butanenitrile is sourced from PubChem (CID 63827839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).