3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine

C8H11IN2 — CID 166929518

IUPAC3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine
SMILESCNc1ccc(C)c(NI)c1
InChIInChI=1S/C8H11IN2/c1-6-3-4-7(10-2)5-8(6)11-9/h3-5,10-11H,1-2H3
InChIKeySVHGFQVWIDMDKP-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.80
Rot. Bonds2

About 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine

3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine (PubChem CID 166929518) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine
PubChem CID166929518
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine
SMILESCNc1ccc(C)c(NI)c1
InChIInChI=1S/C8H11IN2/c1-6-3-4-7(10-2)5-8(6)11-9/h3-5,10-11H,1-2H3
InChIKeySVHGFQVWIDMDKP-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine (CID 166929518) is 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine is CNc1ccc(C)c(NI)c1.
What is the InChIKey of 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine?
The InChIKey is SVHGFQVWIDMDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-6-3-4-7(10-2)5-8(6)11-9/h3-5,10-11H,1-2H3.
What are the key properties of 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine?
3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine has a molecular weight of 262.09 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 166929518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).