[5-iodo-2-(iodoamino)cyclohexyl] carbamate

C7H12I2N2O2 — CID 143875558

IUPAC[5-iodo-2-(iodoamino)cyclohexyl] carbamate
SMILESNC(=O)OC1CC(I)CCC1NI
InChIInChI=1S/C7H12I2N2O2/c8-4-1-2-5(11-9)6(3-4)13-7(10)12/h4-6,11H,1-3H2,(H2,10,12)
InChIKeyXHKXLVKDSPDUNJ-UHFFFAOYSA-N
MW409.99 g/mol
LogP1.75
Rot. Bonds2

About [5-iodo-2-(iodoamino)cyclohexyl] carbamate

[5-iodo-2-(iodoamino)cyclohexyl] carbamate (PubChem CID 143875558) has the molecular formula C7H12I2N2O2 and a molecular weight of 409.99 g/mol. Its IUPAC name is [5-iodo-2-(iodoamino)cyclohexyl] carbamate.

Molecular Properties

Compound Name[5-iodo-2-(iodoamino)cyclohexyl] carbamate
PubChem CID143875558
Molecular FormulaC7H12I2N2O2
Molecular Weight409.99 g/mol
Exact Mass409.90
IUPAC Name[5-iodo-2-(iodoamino)cyclohexyl] carbamate
SMILESNC(=O)OC1CC(I)CCC1NI
InChIInChI=1S/C7H12I2N2O2/c8-4-1-2-5(11-9)6(3-4)13-7(10)12/h4-6,11H,1-3H2,(H2,10,12)
InChIKeyXHKXLVKDSPDUNJ-UHFFFAOYSA-N
XLogP1.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.99
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 [5-iodo-2-(iodoamino)cyclohexyl] carbamate?
The IUPAC name of [5-iodo-2-(iodoamino)cyclohexyl] carbamate (CID 143875558) is [5-iodo-2-(iodoamino)cyclohexyl] carbamate.
What is the SMILES notation for [5-iodo-2-(iodoamino)cyclohexyl] carbamate?
The canonical SMILES for [5-iodo-2-(iodoamino)cyclohexyl] carbamate is NC(=O)OC1CC(I)CCC1NI.
What is the InChIKey of [5-iodo-2-(iodoamino)cyclohexyl] carbamate?
The InChIKey is XHKXLVKDSPDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12I2N2O2/c8-4-1-2-5(11-9)6(3-4)13-7(10)12/h4-6,11H,1-3H2,(H2,10,12).
What are the key properties of [5-iodo-2-(iodoamino)cyclohexyl] carbamate?
[5-iodo-2-(iodoamino)cyclohexyl] carbamate has a molecular weight of 409.99 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-2-(iodoamino)cyclohexyl] carbamate is sourced from PubChem (CID 143875558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).