methanamine;methane;molecular iodine

C24H108I2N12 — CID 162029023

IUPACmethanamine;methane;molecular iodine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.II
InChIInChI=1S/12CH5N.12CH4.I2/c12*1-2;;;;;;;;;;;;;1-2/h12*2H2,1H3;12*1H4;
InChIKeyYVTSIXZTHAIIMZ-UHFFFAOYSA-N
MW819.02 g/mol
LogP4.30
Rot. Bonds

About methanamine;methane;molecular iodine

methanamine;methane;molecular iodine (PubChem CID 162029023) has the molecular formula C24H108I2N12 and a molecular weight of 819.02 g/mol. Its IUPAC name is methanamine;methane;molecular iodine.

Molecular Properties

Compound Namemethanamine;methane;molecular iodine
PubChem CID162029023
Molecular FormulaC24H108I2N12
Molecular Weight819.02 g/mol
Exact Mass818.69
IUPAC Namemethanamine;methane;molecular iodine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.II
InChIInChI=1S/12CH5N.12CH4.I2/c12*1-2;;;;;;;;;;;;;1-2/h12*2H2,1H3;12*1H4;
InChIKeyYVTSIXZTHAIIMZ-UHFFFAOYSA-N
XLogP4.30
TPSA312.24 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 54.30
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze methanamine;methane;molecular iodine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanamine;methane;molecular iodine?
The IUPAC name of methanamine;methane;molecular iodine (CID 162029023) is methanamine;methane;molecular iodine.
What is the SMILES notation for methanamine;methane;molecular iodine?
The canonical SMILES for methanamine;methane;molecular iodine is C.C.C.C.C.C.C.C.C.C.C.C.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.CN.II.
What is the InChIKey of methanamine;methane;molecular iodine?
The InChIKey is YVTSIXZTHAIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/12CH5N.12CH4.I2/c12*1-2;;;;;;;;;;;;;1-2/h12*2H2,1H3;12*1H4;.
What are the key properties of methanamine;methane;molecular iodine?
methanamine;methane;molecular iodine has a molecular weight of 819.02 g/mol, XLogP of 4.30, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methane;molecular iodine is sourced from PubChem (CID 162029023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).