4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide

C14H20FN3O — CID 54994037

IUPAC4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCO)C2CCCC2)c(F)c1
InChIInChI=1S/C14H20FN3O/c15-12-9-10(14(16)17)5-6-13(12)18(7-8-19)11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2,(H3,16,17)
InChIKeyDUKBUYBPABYSDN-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.85
Rot. Bonds5

About 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide

4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide (PubChem CID 54994037) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide
PubChem CID54994037
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCO)C2CCCC2)c(F)c1
InChIInChI=1S/C14H20FN3O/c15-12-9-10(14(16)17)5-6-13(12)18(7-8-19)11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2,(H3,16,17)
InChIKeyDUKBUYBPABYSDN-UHFFFAOYSA-N
XLogP1.85
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide (CID 54994037) is 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CCO)C2CCCC2)c(F)c1.
What is the InChIKey of 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide?
The InChIKey is DUKBUYBPABYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-12-9-10(14(16)17)5-6-13(12)18(7-8-19)11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2,(H3,16,17).
What are the key properties of 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide?
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 54994037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).