3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile

C11H17FN2 — CID 131208933

IUPAC3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NC2CCC(F)C2)C1
InChIInChI=1S/C11H17FN2/c12-9-2-4-11(6-9)14-10-3-1-8(5-10)7-13/h8-11,14H,1-6H2
InChIKeyXRLHLKSOWJRYCR-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.16
Rot. Bonds2

About 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile

3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile (PubChem CID 131208933) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile
PubChem CID131208933
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NC2CCC(F)C2)C1
InChIInChI=1S/C11H17FN2/c12-9-2-4-11(6-9)14-10-3-1-8(5-10)7-13/h8-11,14H,1-6H2
InChIKeyXRLHLKSOWJRYCR-UHFFFAOYSA-N
XLogP2.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile (CID 131208933) is 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile is N#CC1CCC(NC2CCC(F)C2)C1.
What is the InChIKey of 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is XRLHLKSOWJRYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-9-2-4-11(6-9)14-10-3-1-8(5-10)7-13/h8-11,14H,1-6H2.
What are the key properties of 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile?
3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 196.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorocyclopentyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 131208933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).