2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

C15H22FN3O — CID 77029528

IUPAC2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC(NCc1ccc(F)cc1C(N)=NO)C1CCCC1
InChIInChI=1S/C15H22FN3O/c1-10(11-4-2-3-5-11)18-9-12-6-7-13(16)8-14(12)15(17)19-20/h6-8,10-11,18,20H,2-5,9H2,1H3,(H2,17,19)
InChIKeyNJOSRVWHUDSGIB-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.59
Rot. Bonds5

About 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77029528) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77029528
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC(NCc1ccc(F)cc1C(N)=NO)C1CCCC1
InChIInChI=1S/C15H22FN3O/c1-10(11-4-2-3-5-11)18-9-12-6-7-13(16)8-14(12)15(17)19-20/h6-8,10-11,18,20H,2-5,9H2,1H3,(H2,17,19)
InChIKeyNJOSRVWHUDSGIB-UHFFFAOYSA-N
XLogP2.59
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.59
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(1-cyclohexylethylamino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116941
4-[[[(1S)-1-cyclopentylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930170
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930169
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
5-fluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]benzenecarboximidamide
CID 77028593
2-[(1,3-dihydroxypropan-2-ylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77065005
5-fluoro-N'-hydroxy-2-[[(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 77029815
5-fluoro-N'-hydroxy-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361756
5-fluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106836113
5-fluoro-N'-hydroxy-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77032922
5-fluoro-N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77045189
5-fluoro-N'-hydroxy-2-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzenecarboximidamide
CID 77031940

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77029528) is 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is CC(NCc1ccc(F)cc1C(N)=NO)C1CCCC1.
What is the InChIKey of 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is NJOSRVWHUDSGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(11-4-2-3-5-11)18-9-12-6-7-13(16)8-14(12)15(17)19-20/h6-8,10-11,18,20H,2-5,9H2,1H3,(H2,17,19).
What are the key properties of 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 279.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylethylamino)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77029528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).