(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine

C5H9IN2 — CID 156522414

IUPAC(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine
SMILESC=CN(C)/C=C(\N)I
InChIInChI=1S/C5H9IN2/c1-3-8(2)4-5(6)7/h3-4H,1,7H2,2H3/b5-4-
InChIKeyHZOKBQOBQZFPGL-PLNGDYQASA-N
MW224.04 g/mol
LogP1.25
Rot. Bonds2

About (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine

(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine (PubChem CID 156522414) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine
PubChem CID156522414
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC Name(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine
SMILESC=CN(C)/C=C(\N)I
InChIInChI=1S/C5H9IN2/c1-3-8(2)4-5(6)7/h3-4H,1,7H2,2H3/b5-4-
InChIKeyHZOKBQOBQZFPGL-PLNGDYQASA-N
XLogP1.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine?
The IUPAC name of (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine (CID 156522414) is (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine.
What is the SMILES notation for (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine?
The canonical SMILES for (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine is C=CN(C)/C=C(\N)I.
What is the InChIKey of (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine?
The InChIKey is HZOKBQOBQZFPGL-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9IN2/c1-3-8(2)4-5(6)7/h3-4H,1,7H2,2H3/b5-4-.
What are the key properties of (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine?
(E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine has a molecular weight of 224.04 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethenyl-1-iodo-N'-methylethene-1,2-diamine is sourced from PubChem (CID 156522414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).