N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline

C9H10IN3 — CID 155330155

IUPACN-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline
SMILES[H]/N=C/C=N\Nc1cccc(I)c1C
InChIInChI=1S/C9H10IN3/c1-7-8(10)3-2-4-9(7)13-12-6-5-11/h2-6,11,13H,1H3/b11-5+,12-6-
InChIKeyYOLQEYSLKGLEDF-MCSXFCTQSA-N
MW287.10 g/mol
LogP2.65
Rot. Bonds3

About N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline

N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline (PubChem CID 155330155) has the molecular formula C9H10IN3 and a molecular weight of 287.10 g/mol. Its IUPAC name is N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline
PubChem CID155330155
Molecular FormulaC9H10IN3
Molecular Weight287.10 g/mol
Exact Mass286.99
IUPAC NameN-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline
SMILES[H]/N=C/C=N\Nc1cccc(I)c1C
InChIInChI=1S/C9H10IN3/c1-7-8(10)3-2-4-9(7)13-12-6-5-11/h2-6,11,13H,1H3/b11-5+,12-6-
InChIKeyYOLQEYSLKGLEDF-MCSXFCTQSA-N
XLogP2.65
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline?
The IUPAC name of N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline (CID 155330155) is N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline.
What is the SMILES notation for N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline?
The canonical SMILES for N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline is [H]/N=C/C=N\Nc1cccc(I)c1C.
What is the InChIKey of N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline?
The InChIKey is YOLQEYSLKGLEDF-MCSXFCTQSA-N. The full InChI is InChI=1S/C9H10IN3/c1-7-8(10)3-2-4-9(7)13-12-6-5-11/h2-6,11,13H,1H3/b11-5+,12-6-.
What are the key properties of N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline?
N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline has a molecular weight of 287.10 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-iminoethylideneamino]-3-iodo-2-methylaniline is sourced from PubChem (CID 155330155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).