2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile

C16H19FN2 — CID 55153111

IUPAC2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C16H19FN2/c17-14-5-1-3-11(7-14)13-8-15(9-13)19-16-6-2-4-12(16)10-18/h1,3,5,7,12-13,15-16,19H,2,4,6,8-9H2
InChIKeyCHKQPIAPHMJSHT-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.35
Rot. Bonds3

About 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile

2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile (PubChem CID 55153111) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
PubChem CID55153111
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C16H19FN2/c17-14-5-1-3-11(7-14)13-8-15(9-13)19-16-6-2-4-12(16)10-18/h1,3,5,7,12-13,15-16,19H,2,4,6,8-9H2
InChIKeyCHKQPIAPHMJSHT-UHFFFAOYSA-N
XLogP3.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
CID 62962017
N-[3-(3-fluorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714381
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
CID 62743024
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
3-[[3-(3-fluorophenyl)cyclobutyl]amino]propanenitrile
CID 43634823
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
CID 62092486
2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
N-[3-(3-fluorophenyl)cyclobutyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842173
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile
CID 62317861
2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429755

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile (CID 55153111) is 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile is N#CC1CCCC1NC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is CHKQPIAPHMJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-14-5-1-3-11(7-14)13-8-15(9-13)19-16-6-2-4-12(16)10-18/h1,3,5,7,12-13,15-16,19H,2,4,6,8-9H2.
What are the key properties of 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 258.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55153111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).