3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide

C17H24FN3 — CID 107117878

IUPAC3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CCCC2C2CCCC2)c1F
InChIInChI=1S/C17H24FN3/c18-16-13(7-3-8-14(16)17(19)20)11-21-10-4-9-15(21)12-5-1-2-6-12/h3,7-8,12,15H,1-2,4-6,9-11H2,(H3,19,20)
InChIKeyMRJSRDPJDMKCFM-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.26
Rot. Bonds4

About 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide

3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide (PubChem CID 107117878) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
PubChem CID107117878
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CCCC2C2CCCC2)c1F
InChIInChI=1S/C17H24FN3/c18-16-13(7-3-8-14(16)17(19)20)11-21-10-4-9-15(21)12-5-1-2-6-12/h3,7-8,12,15H,1-2,4-6,9-11H2,(H3,19,20)
InChIKeyMRJSRDPJDMKCFM-UHFFFAOYSA-N
XLogP3.26
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.26
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

3-[(2-ethylazepan-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107118005
2-fluoro-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 107117747
2-[(2-methylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 60974617
3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
CID 107118103
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117850
2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 107118111
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
CID 63880669
3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide
CID 107118142
2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide
CID 107118050
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-6-aminobenzoic acid
CID 104824402
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 82749636
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107117979

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide?
The IUPAC name of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide (CID 107117878) is 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide?
The canonical SMILES for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cccc(CN2CCCC2C2CCCC2)c1F.
What is the InChIKey of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide?
The InChIKey is MRJSRDPJDMKCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c18-16-13(7-3-8-14(16)17(19)20)11-21-10-4-9-15(21)12-5-1-2-6-12/h3,7-8,12,15H,1-2,4-6,9-11H2,(H3,19,20).
What are the key properties of 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide?
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide has a molecular weight of 289.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 107117878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).