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

C15H19FN2 — CID 62647475

IUPAC3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile
SMILESCCC(CC#N)NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2/c1-2-14(6-7-17)18-15-9-12(10-15)11-4-3-5-13(16)8-11/h3-5,8,12,14-15,18H,2,6,9-10H2,1H3
InChIKeyDCPCOQUIBAWWNX-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.35
Rot. Bonds5

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

3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile (PubChem CID 62647475) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile.

Molecular Properties

Compound Name3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile
PubChem CID62647475
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile
SMILESCCC(CC#N)NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2/c1-2-14(6-7-17)18-15-9-12(10-15)11-4-3-5-13(16)8-11/h3-5,8,12,14-15,18H,2,6,9-10H2,1H3
InChIKeyDCPCOQUIBAWWNX-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-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile?
The IUPAC name of 3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile (CID 62647475) is 3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile.
What is the SMILES notation for 3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile?
The canonical SMILES for 3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile is CCC(CC#N)NC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile?
The InChIKey is DCPCOQUIBAWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-2-14(6-7-17)18-15-9-12(10-15)11-4-3-5-13(16)8-11/h3-5,8,12,14-15,18H,2,6,9-10H2,1H3.
What are the key properties of 3-[[3-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile?
3-[[3-(3-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-(3-fluorophenyl)cyclobutyl]amino]pentanenitrile is sourced from PubChem (CID 62647475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).