carbamimidoyl iodide;hydron

CH4IN2+ — CID 174864753

IUPACcarbamimidoyl iodide;hydron
SMILES[H+].[H]/N=C(/N)I
InChIInChI=1S/CH3IN2/c2-1(3)4/h(H3,3,4)/p+1
InChIKeyVOWZMDUIGSNERP-UHFFFAOYSA-O
MW170.96 g/mol
LogP0.43
Rot. Bonds

About carbamimidoyl iodide;hydron

carbamimidoyl iodide;hydron (PubChem CID 174864753) has the molecular formula CH4IN2+ and a molecular weight of 170.96 g/mol. Its IUPAC name is carbamimidoyl iodide;hydron.

Molecular Properties

Compound Namecarbamimidoyl iodide;hydron
PubChem CID174864753
Molecular FormulaCH4IN2+
Molecular Weight170.96 g/mol
Exact Mass170.94
IUPAC Namecarbamimidoyl iodide;hydron
SMILES[H+].[H]/N=C(/N)I
InChIInChI=1S/CH3IN2/c2-1(3)4/h(H3,3,4)/p+1
InChIKeyVOWZMDUIGSNERP-UHFFFAOYSA-O
XLogP0.43
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.96
LogP ≤ 50.43
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-C-halo', 'substructure': 'N/A'}

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Related Compounds

carbamimidoyl iodide;tetrachloroplumbane
CID 174746139
alumanylmethanimidamide
CID 174565420
ethanediimidamide;trihydrochloride
CID 139639987
chloro carbamimidate
CID 19087492
CID 174391315
CID 174391315
cobalt;ethanimidamide
CID 162055614
carbamimidoyl fluoride;λ2-plumbane
CID 175191014
phosphanylmethanimidamide;hydrate
CID 174901910
N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
ethanimidamide;guanidine
CID 160661984
calcium;carbamimidate;dichloride
CID 73456692
carbamimidate;palladium;dichloride
CID 102060497

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl iodide;hydron?
The IUPAC name of carbamimidoyl iodide;hydron (CID 174864753) is carbamimidoyl iodide;hydron.
What is the SMILES notation for carbamimidoyl iodide;hydron?
The canonical SMILES for carbamimidoyl iodide;hydron is [H+].[H]/N=C(/N)I.
What is the InChIKey of carbamimidoyl iodide;hydron?
The InChIKey is VOWZMDUIGSNERP-UHFFFAOYSA-O. The full InChI is InChI=1S/CH3IN2/c2-1(3)4/h(H3,3,4)/p+1.
What are the key properties of carbamimidoyl iodide;hydron?
carbamimidoyl iodide;hydron has a molecular weight of 170.96 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl iodide;hydron is sourced from PubChem (CID 174864753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).