1-iodo-1-methylguanidine

C2H6IN3 — CID 174838872

IUPAC1-iodo-1-methylguanidine
SMILES[H]/N=C(\N)N(C)I
InChIInChI=1S/C2H6IN3/c1-6(3)2(4)5/h1H3,(H3,4,5)
InChIKeyYIVGBBLZTAUFAY-UHFFFAOYSA-N
MW199.00 g/mol
LogP0.16
Rot. Bonds

About 1-iodo-1-methylguanidine

1-iodo-1-methylguanidine (PubChem CID 174838872) has the molecular formula C2H6IN3 and a molecular weight of 199.00 g/mol. Its IUPAC name is 1-iodo-1-methylguanidine.

Molecular Properties

Compound Name1-iodo-1-methylguanidine
PubChem CID174838872
Molecular FormulaC2H6IN3
Molecular Weight199.00 g/mol
Exact Mass198.96
IUPAC Name1-iodo-1-methylguanidine
SMILES[H]/N=C(\N)N(C)I
InChIInChI=1S/C2H6IN3/c1-6(3)2(4)5/h1H3,(H3,4,5)
InChIKeyYIVGBBLZTAUFAY-UHFFFAOYSA-N
XLogP0.16
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.00
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-methylguanidine?
The IUPAC name of 1-iodo-1-methylguanidine (CID 174838872) is 1-iodo-1-methylguanidine.
What is the SMILES notation for 1-iodo-1-methylguanidine?
The canonical SMILES for 1-iodo-1-methylguanidine is [H]/N=C(\N)N(C)I.
What is the InChIKey of 1-iodo-1-methylguanidine?
The InChIKey is YIVGBBLZTAUFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6IN3/c1-6(3)2(4)5/h1H3,(H3,4,5).
What are the key properties of 1-iodo-1-methylguanidine?
1-iodo-1-methylguanidine has a molecular weight of 199.00 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-methylguanidine is sourced from PubChem (CID 174838872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).