N'-(methylamino)benzenecarboximidamide;hydroiodide

C8H12IN3 — CID 12566592

IUPACN'-(methylamino)benzenecarboximidamide;hydroiodide
SMILESCN/N=C(\N)c1ccccc1.I
InChIInChI=1S/C8H11N3.HI/c1-10-11-8(9)7-5-3-2-4-6-7;/h2-6,10H,1H3,(H2,9,11);1H
InChIKeyOYGRHQKFCKMQJH-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.14
Rot. Bonds2

About N'-(methylamino)benzenecarboximidamide;hydroiodide

N'-(methylamino)benzenecarboximidamide;hydroiodide (PubChem CID 12566592) has the molecular formula C8H12IN3 and a molecular weight of 277.11 g/mol. Its IUPAC name is N'-(methylamino)benzenecarboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(methylamino)benzenecarboximidamide;hydroiodide
PubChem CID12566592
Molecular FormulaC8H12IN3
Molecular Weight277.11 g/mol
Exact Mass277.01
IUPAC NameN'-(methylamino)benzenecarboximidamide;hydroiodide
SMILESCN/N=C(\N)c1ccccc1.I
InChIInChI=1S/C8H11N3.HI/c1-10-11-8(9)7-5-3-2-4-6-7;/h2-6,10H,1H3,(H2,9,11);1H
InChIKeyOYGRHQKFCKMQJH-UHFFFAOYSA-N
XLogP1.14
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(methylamino)benzenecarboximidamide;hydroiodide?
The IUPAC name of N'-(methylamino)benzenecarboximidamide;hydroiodide (CID 12566592) is N'-(methylamino)benzenecarboximidamide;hydroiodide.
What is the SMILES notation for N'-(methylamino)benzenecarboximidamide;hydroiodide?
The canonical SMILES for N'-(methylamino)benzenecarboximidamide;hydroiodide is CN/N=C(\N)c1ccccc1.I.
What is the InChIKey of N'-(methylamino)benzenecarboximidamide;hydroiodide?
The InChIKey is OYGRHQKFCKMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.HI/c1-10-11-8(9)7-5-3-2-4-6-7;/h2-6,10H,1H3,(H2,9,11);1H.
What are the key properties of N'-(methylamino)benzenecarboximidamide;hydroiodide?
N'-(methylamino)benzenecarboximidamide;hydroiodide has a molecular weight of 277.11 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylamino)benzenecarboximidamide;hydroiodide is sourced from PubChem (CID 12566592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).