3-amino-2-iodo-N-methylideneprop-2-enimidamide

C4H6IN3 — CID 153028028

IUPAC3-amino-2-iodo-N-methylideneprop-2-enimidamide
SMILES[H]/N=C(\N=C)C(I)=CN
InChIInChI=1S/C4H6IN3/c1-8-4(7)3(5)2-6/h2,7H,1,6H2/b3-2?,7-4-
InChIKeyGCBCKUBFXSNBEL-JZABDGQBSA-N
MW223.02 g/mol
LogP0.90
Rot. Bonds1

About 3-amino-2-iodo-N-methylideneprop-2-enimidamide

3-amino-2-iodo-N-methylideneprop-2-enimidamide (PubChem CID 153028028) has the molecular formula C4H6IN3 and a molecular weight of 223.02 g/mol. Its IUPAC name is 3-amino-2-iodo-N-methylideneprop-2-enimidamide.

Molecular Properties

Compound Name3-amino-2-iodo-N-methylideneprop-2-enimidamide
PubChem CID153028028
Molecular FormulaC4H6IN3
Molecular Weight223.02 g/mol
Exact Mass222.96
IUPAC Name3-amino-2-iodo-N-methylideneprop-2-enimidamide
SMILES[H]/N=C(\N=C)C(I)=CN
InChIInChI=1S/C4H6IN3/c1-8-4(7)3(5)2-6/h2,7H,1,6H2/b3-2?,7-4-
InChIKeyGCBCKUBFXSNBEL-JZABDGQBSA-N
XLogP0.90
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-iodo-N-methylideneprop-2-enimidamide?
The IUPAC name of 3-amino-2-iodo-N-methylideneprop-2-enimidamide (CID 153028028) is 3-amino-2-iodo-N-methylideneprop-2-enimidamide.
What is the SMILES notation for 3-amino-2-iodo-N-methylideneprop-2-enimidamide?
The canonical SMILES for 3-amino-2-iodo-N-methylideneprop-2-enimidamide is [H]/N=C(\N=C)C(I)=CN.
What is the InChIKey of 3-amino-2-iodo-N-methylideneprop-2-enimidamide?
The InChIKey is GCBCKUBFXSNBEL-JZABDGQBSA-N. The full InChI is InChI=1S/C4H6IN3/c1-8-4(7)3(5)2-6/h2,7H,1,6H2/b3-2?,7-4-.
What are the key properties of 3-amino-2-iodo-N-methylideneprop-2-enimidamide?
3-amino-2-iodo-N-methylideneprop-2-enimidamide has a molecular weight of 223.02 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-iodo-N-methylideneprop-2-enimidamide is sourced from PubChem (CID 153028028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).