4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile

C16H22N2O — CID 43541120

IUPAC4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile
SMILESCCN(CCOc1ccc(C#N)cc1)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-18(15-5-3-4-6-15)11-12-19-16-9-7-14(13-17)8-10-16/h7-10,15H,2-6,11-12H2,1H3
InChIKeyQPLLLXPTDMMGRB-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.20
Rot. Bonds6

About 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile

4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile (PubChem CID 43541120) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile
PubChem CID43541120
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile
SMILESCCN(CCOc1ccc(C#N)cc1)C1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-18(15-5-3-4-6-15)11-12-19-16-9-7-14(13-17)8-10-16/h7-10,15H,2-6,11-12H2,1H3
InChIKeyQPLLLXPTDMMGRB-UHFFFAOYSA-N
XLogP3.20
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Ucl-2138
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4-[2-(Dimethylamino)ethoxy]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile (CID 43541120) is 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile is CCN(CCOc1ccc(C#N)cc1)C1CCCC1.
What is the InChIKey of 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile?
The InChIKey is QPLLLXPTDMMGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18(15-5-3-4-6-15)11-12-19-16-9-7-14(13-17)8-10-16/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile?
4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentyl(ethyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43541120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).