(E)-2-iodo-3-methyliminoprop-1-en-1-amine

C4H7IN2 — CID 89031585

IUPAC(E)-2-iodo-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(I)=C\N
InChIInChI=1S/C4H7IN2/c1-7-3-4(5)2-6/h2-3H,6H2,1H3/b4-2+,7-3+
InChIKeyGYUVXXBGYVYVMP-JKEDICHKSA-N
MW210.02 g/mol
LogP0.92
Rot. Bonds1

About (E)-2-iodo-3-methyliminoprop-1-en-1-amine

(E)-2-iodo-3-methyliminoprop-1-en-1-amine (PubChem CID 89031585) has the molecular formula C4H7IN2 and a molecular weight of 210.02 g/mol. Its IUPAC name is (E)-2-iodo-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-iodo-3-methyliminoprop-1-en-1-amine
PubChem CID89031585
Molecular FormulaC4H7IN2
Molecular Weight210.02 g/mol
Exact Mass209.97
IUPAC Name(E)-2-iodo-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(I)=C\N
InChIInChI=1S/C4H7IN2/c1-7-3-4(5)2-6/h2-3H,6H2,1H3/b4-2+,7-3+
InChIKeyGYUVXXBGYVYVMP-JKEDICHKSA-N
XLogP0.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-2-iodo-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (E)-2-iodo-3-methyliminoprop-1-en-1-amine (CID 89031585) is (E)-2-iodo-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-2-iodo-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (E)-2-iodo-3-methyliminoprop-1-en-1-amine is C/N=C/C(I)=C\N.
What is the InChIKey of (E)-2-iodo-3-methyliminoprop-1-en-1-amine?
The InChIKey is GYUVXXBGYVYVMP-JKEDICHKSA-N. The full InChI is InChI=1S/C4H7IN2/c1-7-3-4(5)2-6/h2-3H,6H2,1H3/b4-2+,7-3+.
What are the key properties of (E)-2-iodo-3-methyliminoprop-1-en-1-amine?
(E)-2-iodo-3-methyliminoprop-1-en-1-amine has a molecular weight of 210.02 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-iodo-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 89031585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).