methanamine;molecular iodine

C12H60I2N12 — CID 159259076

IUPACmethanamine;molecular iodine
SMILESCN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.II
InChIInChI=1S/12CH5N.I2/c13*1-2/h12*2H2,1H3;
InChIKeyKWGULBAVYNMKTJ-UHFFFAOYSA-N
MW626.50 g/mol
LogP-3.33
Rot. Bonds

About methanamine;molecular iodine

methanamine;molecular iodine (PubChem CID 159259076) has the molecular formula C12H60I2N12 and a molecular weight of 626.50 g/mol. Its IUPAC name is methanamine;molecular iodine.

Molecular Properties

Compound Namemethanamine;molecular iodine
PubChem CID159259076
Molecular FormulaC12H60I2N12
Molecular Weight626.50 g/mol
Exact Mass626.32
IUPAC Namemethanamine;molecular iodine
SMILESCN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.II
InChIInChI=1S/12CH5N.I2/c13*1-2/h12*2H2,1H3;
InChIKeyKWGULBAVYNMKTJ-UHFFFAOYSA-N
XLogP-3.33
TPSA312.24 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500626.50
LogP ≤ 5-3.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

methanamine;methane;molecular iodine
CID 162029023
ethane;methanamine
CID 170584679
methanamine;pentahydrate
CID 172744028
methanamine;hydrochloride
CID 175763103
methanamine;tetrahydrofluoride
CID 173208166
bromomethane;iodomethane;methanamine;methane
CID 157193661
methanamine;hydrochloride;hydroiodide
CID 175926023
methanamine;palladium(2+);chloride
CID 23346710
CID 174787228
CID 174787228
potassium;hydride;methanamine
CID 173303983
methanamine;bis(oxygen(2-));titanium(4+)
CID 173296281
acetylene;methanamine
CID 158114414

Frequently Asked Questions

What is the IUPAC name of methanamine;molecular iodine?
The IUPAC name of methanamine;molecular iodine (CID 159259076) is methanamine;molecular iodine.
What is the SMILES notation for methanamine;molecular iodine?
The canonical SMILES for methanamine;molecular iodine is CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.II.
What is the InChIKey of methanamine;molecular iodine?
The InChIKey is KWGULBAVYNMKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/12CH5N.I2/c13*1-2/h12*2H2,1H3;.
What are the key properties of methanamine;molecular iodine?
methanamine;molecular iodine has a molecular weight of 626.50 g/mol, XLogP of -3.33, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;molecular iodine is sourced from PubChem (CID 159259076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).