3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide

C13H15N3O2 — CID 77029542

IUPAC3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CNCc2ccco2)c1
InChIInChI=1S/C13H15N3O2/c14-13(16-17)11-4-1-3-10(7-11)8-15-9-12-5-2-6-18-12/h1-7,15,17H,8-9H2,(H2,14,16)
InChIKeyFTLCKUFDOFFAKR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.66
Rot. Bonds5

About 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide

3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77029542) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77029542
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CNCc2ccco2)c1
InChIInChI=1S/C13H15N3O2/c14-13(16-17)11-4-1-3-10(7-11)8-15-9-12-5-2-6-18-12/h1-7,15,17H,8-9H2,(H2,14,16)
InChIKeyFTLCKUFDOFFAKR-UHFFFAOYSA-N
XLogP1.66
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
N'-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]benzenecarboximidamide
CID 77028839
N'-hydroxy-3-[(2-methylprop-2-enylamino)methyl]benzenecarboximidamide
CID 114617394
N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
3-[(but-3-ynylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77028067
3-[[3-(furan-2-ylmethoxy)propylamino]methyl]benzamide
CID 60976249
N-(furan-2-ylmethyl)-1-[3-(methoxymethyl)phenyl]methanamine
CID 54893676
N'-hydroxy-3-[(2,3,3-trimethylbutylamino)methyl]benzenecarboximidamide
CID 83144415
N'-hydroxy-3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]benzenecarboximidamide
CID 81130732
3-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032410
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565

Frequently Asked Questions

What is the IUPAC name of 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77029542) is 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(CNCc2ccco2)c1.
What is the InChIKey of 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FTLCKUFDOFFAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-13(16-17)11-4-1-3-10(7-11)8-15-9-12-5-2-6-18-12/h1-7,15,17H,8-9H2,(H2,14,16).
What are the key properties of 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide?
3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 245.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(furan-2-ylmethylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77029542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).