1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine

C8H14I2N2O2 — CID 160619641

IUPAC1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine
SMILESCN1CCC(=O)N(C)CCC1=O.II
InChIInChI=1S/C8H14N2O2.I2/c1-9-5-3-8(12)10(2)6-4-7(9)11;1-2/h3-6H2,1-2H3;
InChIKeyRGNQOIZDCMJEMT-UHFFFAOYSA-N
MW424.02 g/mol
LogP1.47
Rot. Bonds

About 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine

1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine (PubChem CID 160619641) has the molecular formula C8H14I2N2O2 and a molecular weight of 424.02 g/mol. Its IUPAC name is 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine.

Molecular Properties

Compound Name1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine
PubChem CID160619641
Molecular FormulaC8H14I2N2O2
Molecular Weight424.02 g/mol
Exact Mass423.91
IUPAC Name1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine
SMILESCN1CCC(=O)N(C)CCC1=O.II
InChIInChI=1S/C8H14N2O2.I2/c1-9-5-3-8(12)10(2)6-4-7(9)11;1-2/h3-6H2,1-2H3;
InChIKeyRGNQOIZDCMJEMT-UHFFFAOYSA-N
XLogP1.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.02
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine?
The IUPAC name of 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine (CID 160619641) is 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine.
What is the SMILES notation for 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine?
The canonical SMILES for 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine is CN1CCC(=O)N(C)CCC1=O.II.
What is the InChIKey of 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine?
The InChIKey is RGNQOIZDCMJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.I2/c1-9-5-3-8(12)10(2)6-4-7(9)11;1-2/h3-6H2,1-2H3;.
What are the key properties of 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine?
1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine has a molecular weight of 424.02 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,5-diazocane-2,6-dione;molecular iodine is sourced from PubChem (CID 160619641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).