(E)-1-(2-iodoethylideneamino)prop-1-en-1-amine

C5H9IN2 — CID 163791343

IUPAC(E)-1-(2-iodoethylideneamino)prop-1-en-1-amine
SMILESC/C=C(\N)N=CCI
InChIInChI=1S/C5H9IN2/c1-2-5(7)8-4-3-6/h2,4H,3,7H2,1H3/b5-2+,8-4?
InChIKeyMXAVDEQFZBEGPV-DFKCXJEFSA-N
MW224.04 g/mol
LogP1.31
Rot. Bonds2

About (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine

(E)-1-(2-iodoethylideneamino)prop-1-en-1-amine (PubChem CID 163791343) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-(2-iodoethylideneamino)prop-1-en-1-amine
PubChem CID163791343
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC Name(E)-1-(2-iodoethylideneamino)prop-1-en-1-amine
SMILESC/C=C(\N)N=CCI
InChIInChI=1S/C5H9IN2/c1-2-5(7)8-4-3-6/h2,4H,3,7H2,1H3/b5-2+,8-4?
InChIKeyMXAVDEQFZBEGPV-DFKCXJEFSA-N
XLogP1.31
TPSA38.38 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 ≤ 51.31
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine?
The IUPAC name of (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine (CID 163791343) is (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine?
The canonical SMILES for (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine is C/C=C(\N)N=CCI.
What is the InChIKey of (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine?
The InChIKey is MXAVDEQFZBEGPV-DFKCXJEFSA-N. The full InChI is InChI=1S/C5H9IN2/c1-2-5(7)8-4-3-6/h2,4H,3,7H2,1H3/b5-2+,8-4?.
What are the key properties of (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine?
(E)-1-(2-iodoethylideneamino)prop-1-en-1-amine has a molecular weight of 224.04 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-iodoethylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 163791343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).