(E)-1-iodo-2-(2-iodobutylideneamino)ethenamine

C6H10I2N2 — CID 138605579

IUPAC(E)-1-iodo-2-(2-iodobutylideneamino)ethenamine
SMILESCCC(I)/C=N/C=C(\N)I
InChIInChI=1S/C6H10I2N2/c1-2-5(7)3-10-4-6(8)9/h3-5H,2,9H2,1H3/b6-4-,10-3+
InChIKeyZCRMGZCTCJVCHM-UQXOVIPASA-N
MW363.97 g/mol
LogP2.46
Rot. Bonds3

About (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine

(E)-1-iodo-2-(2-iodobutylideneamino)ethenamine (PubChem CID 138605579) has the molecular formula C6H10I2N2 and a molecular weight of 363.97 g/mol. Its IUPAC name is (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine.

Molecular Properties

Compound Name(E)-1-iodo-2-(2-iodobutylideneamino)ethenamine
PubChem CID138605579
Molecular FormulaC6H10I2N2
Molecular Weight363.97 g/mol
Exact Mass363.89
IUPAC Name(E)-1-iodo-2-(2-iodobutylideneamino)ethenamine
SMILESCCC(I)/C=N/C=C(\N)I
InChIInChI=1S/C6H10I2N2/c1-2-5(7)3-10-4-6(8)9/h3-5H,2,9H2,1H3/b6-4-,10-3+
InChIKeyZCRMGZCTCJVCHM-UQXOVIPASA-N
XLogP2.46
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.97
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine?
The IUPAC name of (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine (CID 138605579) is (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine.
What is the SMILES notation for (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine?
The canonical SMILES for (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine is CCC(I)/C=N/C=C(\N)I.
What is the InChIKey of (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine?
The InChIKey is ZCRMGZCTCJVCHM-UQXOVIPASA-N. The full InChI is InChI=1S/C6H10I2N2/c1-2-5(7)3-10-4-6(8)9/h3-5H,2,9H2,1H3/b6-4-,10-3+.
What are the key properties of (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine?
(E)-1-iodo-2-(2-iodobutylideneamino)ethenamine has a molecular weight of 363.97 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-2-(2-iodobutylideneamino)ethenamine is sourced from PubChem (CID 138605579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).