3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

C14H23FN4O — CID 107116601

IUPAC3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CCCN(C)Cc1cccc(/C(N)=N/O)c1F
InChIInChI=1S/C14H23FN4O/c1-18(2)8-5-9-19(3)10-11-6-4-7-12(13(11)15)14(16)17-20/h4,6-7,20H,5,8-10H2,1-3H3,(H2,16,17)
InChIKeyHHSLQETYACRDOO-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.30
Rot. Bonds7

About 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide

3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 107116601) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID107116601
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCN(C)CCCN(C)Cc1cccc(/C(N)=N/O)c1F
InChIInChI=1S/C14H23FN4O/c1-18(2)8-5-9-19(3)10-11-6-4-7-12(13(11)15)14(16)17-20/h4,6-7,20H,5,8-10H2,1-3H3,(H2,16,17)
InChIKeyHHSLQETYACRDOO-UHFFFAOYSA-N
XLogP1.30
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
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

3-[[2,2-difluoroethyl(methyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117465
2-fluoro-N'-hydroxy-3-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]benzenecarboximidamide
CID 107116609
2-fluoro-N'-hydroxy-3-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 107117189
2-fluoro-N'-hydroxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 107116414
3-[(N,4-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116552
3-[(2,2-dimethylhydrazinyl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117354
3-[[butan-2-yl(ethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116403
3-[(N,3-dimethylanilino)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116550
2-fluoro-N'-hydroxy-3-[[methyl(oxan-4-yl)amino]methyl]benzenecarboximidamide
CID 107116437
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 115349430
2-fluoro-N'-hydroxy-3-(methylaminomethyl)benzenecarboximidamide
CID 107116628
3-[[bis(cyclopropylmethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116621

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 107116601) is 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is CN(C)CCCN(C)Cc1cccc(/C(N)=N/O)c1F.
What is the InChIKey of 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is HHSLQETYACRDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-18(2)8-5-9-19(3)10-11-6-4-7-12(13(11)15)14(16)17-20/h4,6-7,20H,5,8-10H2,1-3H3,(H2,16,17).
What are the key properties of 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide?
3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 282.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107116601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).