2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine

C7H11IN2 — CID 58512920

IUPAC2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine
SMILESCNC1=IC=C(C)C=C1N
InChIInChI=1S/C7H11IN2/c1-5-3-6(9)7(10-2)8-4-5/h3-4,10H,9H2,1-2H3
InChIKeyLELKJTIFFJKWIO-UHFFFAOYSA-N
MW250.08 g/mol
LogP1.07
Rot. Bonds1

About 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine

2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine (PubChem CID 58512920) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine.

Molecular Properties

Compound Name2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine
PubChem CID58512920
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine
SMILESCNC1=IC=C(C)C=C1N
InChIInChI=1S/C7H11IN2/c1-5-3-6(9)7(10-2)8-4-5/h3-4,10H,9H2,1-2H3
InChIKeyLELKJTIFFJKWIO-UHFFFAOYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine?
The IUPAC name of 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine (CID 58512920) is 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine.
What is the SMILES notation for 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine?
The canonical SMILES for 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine is CNC1=IC=C(C)C=C1N.
What is the InChIKey of 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine?
The InChIKey is LELKJTIFFJKWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2/c1-5-3-6(9)7(10-2)8-4-5/h3-4,10H,9H2,1-2H3.
What are the key properties of 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine?
2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine has a molecular weight of 250.08 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-dimethyl-1λ3-iodacyclohexa-1,3,5-triene-2,3-diamine is sourced from PubChem (CID 58512920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).