2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide

C8H13IN2 — CID 145060284

IUPAC2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
SMILESI.[H]/N=C/c1c(C)cccc1N.[H][H]
InChIInChI=1S/C8H10N2.HI.H2/c1-6-3-2-4-8(10)7(6)5-9;;/h2-5,9H,10H2,1H3;2*1H/b9-5+;;
InChIKeyWMSKIHKPPHIBCM-KJDUPKRESA-N
MW264.11 g/mol
LogP2.44
Rot. Bonds1

About 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide

2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide (PubChem CID 145060284) has the molecular formula C8H13IN2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide.

Molecular Properties

Compound Name2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
PubChem CID145060284
Molecular FormulaC8H13IN2
Molecular Weight264.11 g/mol
Exact Mass264.01
IUPAC Name2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
SMILESI.[H]/N=C/c1c(C)cccc1N.[H][H]
InChIInChI=1S/C8H10N2.HI.H2/c1-6-3-2-4-8(10)7(6)5-9;;/h2-5,9H,10H2,1H3;2*1H/b9-5+;;
InChIKeyWMSKIHKPPHIBCM-KJDUPKRESA-N
XLogP2.44
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide?
The IUPAC name of 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide (CID 145060284) is 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide.
What is the SMILES notation for 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide?
The canonical SMILES for 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide is I.[H]/N=C/c1c(C)cccc1N.[H][H].
What is the InChIKey of 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide?
The InChIKey is WMSKIHKPPHIBCM-KJDUPKRESA-N. The full InChI is InChI=1S/C8H10N2.HI.H2/c1-6-3-2-4-8(10)7(6)5-9;;/h2-5,9H,10H2,1H3;2*1H/b9-5+;;.
What are the key properties of 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide?
2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide has a molecular weight of 264.11 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide is sourced from PubChem (CID 145060284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).