3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile

C15H19FN2 — CID 55101315

IUPAC3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile
SMILESCCC(CC#N)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H19FN2/c1-2-12(7-8-17)18-13-9-11(10-13)14-5-3-4-6-15(14)16/h3-6,11-13,18H,2,7,9-10H2,1H3
InChIKeyXBTKIFKGJLCWFK-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.35
Rot. Bonds5

About 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile

3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile (PubChem CID 55101315) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile
PubChem CID55101315
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile
SMILESCCC(CC#N)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H19FN2/c1-2-12(7-8-17)18-13-9-11(10-13)14-5-3-4-6-15(14)16/h3-6,11-13,18H,2,7,9-10H2,1H3
InChIKeyXBTKIFKGJLCWFK-UHFFFAOYSA-N
XLogP3.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile?
The IUPAC name of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile (CID 55101315) is 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile?
The canonical SMILES for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile is CCC(CC#N)NC1CC(c2ccccc2F)C1.
What is the InChIKey of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile?
The InChIKey is XBTKIFKGJLCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-2-12(7-8-17)18-13-9-11(10-13)14-5-3-4-6-15(14)16/h3-6,11-13,18H,2,7,9-10H2,1H3.
What are the key properties of 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile?
3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile has a molecular weight of 246.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanenitrile is sourced from PubChem (CID 55101315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).