2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide

C4H7IN4 — CID 143725662

IUPAC2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide
SMILESC=C(N)C(=N/I)/N=C/N
InChIInChI=1S/C4H7IN4/c1-3(7)4(9-5)8-2-6/h2H,1,7H2,(H2,6,8,9)
InChIKeyMRMJVNLUMSZWGQ-UHFFFAOYSA-N
MW238.03 g/mol
LogP0.19
Rot. Bonds1

About 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide

2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide (PubChem CID 143725662) has the molecular formula C4H7IN4 and a molecular weight of 238.03 g/mol. Its IUPAC name is 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide.

Molecular Properties

Compound Name2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide
PubChem CID143725662
Molecular FormulaC4H7IN4
Molecular Weight238.03 g/mol
Exact Mass237.97
IUPAC Name2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide
SMILESC=C(N)C(=N/I)/N=C/N
InChIInChI=1S/C4H7IN4/c1-3(7)4(9-5)8-2-6/h2H,1,7H2,(H2,6,8,9)
InChIKeyMRMJVNLUMSZWGQ-UHFFFAOYSA-N
XLogP0.19
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 50.19
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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Related Compounds

5-Methylideneimidazole-2,4-diamine
CID 20067655
(E)-2,3-diamino-N'-methylprop-2-enimidamide
CID 88913465
2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide
CID 123160897
N'-methyl-2-(methylideneamino)prop-2-enimidamide
CID 142901244
2-(Methylideneamino)prop-2-enimidamide
CID 142901245
5-Methylideneimidazol-4-amine;molecular hydrogen
CID 155730363
2,3,3-triamino-N'-(1-aminoethenyl)prop-2-enimidamide
CID 173477624
5-methylidene-N-(methylimino-lambda3-iodanyl)imidazol-4-amine
CID 176543440
5-Methylideneimidazol-4-amine
CID 155730364

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide?
The IUPAC name of 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide (CID 143725662) is 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide.
What is the SMILES notation for 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide?
The canonical SMILES for 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide is C=C(N)C(=N/I)/N=C/N.
What is the InChIKey of 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide?
The InChIKey is MRMJVNLUMSZWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7IN4/c1-3(7)4(9-5)8-2-6/h2H,1,7H2,(H2,6,8,9).
What are the key properties of 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide?
2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide has a molecular weight of 238.03 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide is sourced from PubChem (CID 143725662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).