2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide

C10H14IN3O2 — CID 89371464

IUPAC2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(OC)c(OC)cc1NI
InChIInChI=1S/C10H14IN3O2/c1-13-10(12)6-4-8(15-2)9(16-3)5-7(6)14-11/h4-5,14H,1-3H3,(H2,12,13)
InChIKeyRENKPGWUMRQEPA-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.80
Rot. Bonds4

About 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide

2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide (PubChem CID 89371464) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide
PubChem CID89371464
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(OC)c(OC)cc1NI
InChIInChI=1S/C10H14IN3O2/c1-13-10(12)6-4-8(15-2)9(16-3)5-7(6)14-11/h4-5,14H,1-3H3,(H2,12,13)
InChIKeyRENKPGWUMRQEPA-UHFFFAOYSA-N
XLogP1.80
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.80
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide (CID 89371464) is 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide is C/N=C(\N)c1cc(OC)c(OC)cc1NI.
What is the InChIKey of 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide?
The InChIKey is RENKPGWUMRQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-13-10(12)6-4-8(15-2)9(16-3)5-7(6)14-11/h4-5,14H,1-3H3,(H2,12,13).
What are the key properties of 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide?
2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide has a molecular weight of 335.15 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)-4,5-dimethoxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 89371464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).