3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide

C14H20FN3 — CID 113417637

IUPAC3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(CCC)C2)c(F)c1
InChIInChI=1S/C14H20FN3/c1-2-3-10-6-7-18(9-10)13-5-4-11(14(16)17)8-12(13)15/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,16,17)
InChIKeySXKOYAQQFLJBKY-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.74
Rot. Bonds4

About 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide

3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 113417637) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID113417637
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(CCC)C2)c(F)c1
InChIInChI=1S/C14H20FN3/c1-2-3-10-6-7-18(9-10)13-5-4-11(14(16)17)8-12(13)15/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,16,17)
InChIKeySXKOYAQQFLJBKY-UHFFFAOYSA-N
XLogP2.74
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.74
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-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625734
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417643
4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
CID 43658320
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
4-(3-ethylpyrrolidin-1-yl)-3-fluorobenzenecarbothioamide
CID 113417510
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
CID 61441546
3-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 82799530
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
3-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 64598339
4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-fluorobenzenecarboximidamide
CID 81096252
3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide
CID 63088065

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide (CID 113417637) is 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(CCC)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is SXKOYAQQFLJBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-2-3-10-6-7-18(9-10)13-5-4-11(14(16)17)8-12(13)15/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,16,17).
What are the key properties of 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide?
3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 249.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 113417637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).