4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide

C16H21F2N3 — CID 81285524

IUPAC4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCCC2C2CCCC2)c(F)c1
InChIInChI=1S/C16H21F2N3/c17-12-8-11(16(19)20)9-13(18)15(12)21-7-3-6-14(21)10-4-1-2-5-10/h8-10,14H,1-7H2,(H3,19,20)
InChIKeyWTBCZZXIAUWIKY-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.41
Rot. Bonds3

About 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide

4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide (PubChem CID 81285524) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide
PubChem CID81285524
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N2CCCC2C2CCCC2)c(F)c1
InChIInChI=1S/C16H21F2N3/c17-12-8-11(16(19)20)9-13(18)15(12)21-7-3-6-14(21)10-4-1-2-5-10/h8-10,14H,1-7H2,(H3,19,20)
InChIKeyWTBCZZXIAUWIKY-UHFFFAOYSA-N
XLogP3.41
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 82750380
3,5-difluoro-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 81293355
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293713
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,5-difluorobenzenecarboximidamide
CID 81285395
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3,5-difluoroaniline
CID 54902990
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzonitrile
CID 81282970
4-[3-(dimethylamino)piperidin-1-yl]-3,5-difluorobenzenecarboximidamide
CID 81293736
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 62926493
4-(4-tert-butylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81285537
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 115489529
3,5-difluoro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)benzenecarboximidamide
CID 81285670
3,5-difluoro-4-[4-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 81294206

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide (CID 81285524) is 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N2CCCC2C2CCCC2)c(F)c1.
What is the InChIKey of 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide?
The InChIKey is WTBCZZXIAUWIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c17-12-8-11(16(19)20)9-13(18)15(12)21-7-3-6-14(21)10-4-1-2-5-10/h8-10,14H,1-7H2,(H3,19,20).
What are the key properties of 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide?
4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide has a molecular weight of 293.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpyrrolidin-1-yl)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81285524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).