iodomethane;isocyanomethane;methanamine;methane

C5H15IN2 — CID 160988321

IUPACiodomethane;isocyanomethane;methanamine;methane
SMILESC.CI.CN.[C-]#[N+]C
InChIInChI=1S/C2H3N.CH3I.CH5N.CH4/c1-3-2;2*1-2;/h1H3;1H3;2H2,1H3;1H4
InChIKeyTUGXHBLVEXNZBP-UHFFFAOYSA-N
MW230.09 g/mol
LogP1.80
Rot. Bonds

About iodomethane;isocyanomethane;methanamine;methane

iodomethane;isocyanomethane;methanamine;methane (PubChem CID 160988321) has the molecular formula C5H15IN2 and a molecular weight of 230.09 g/mol. Its IUPAC name is iodomethane;isocyanomethane;methanamine;methane.

Molecular Properties

Compound Nameiodomethane;isocyanomethane;methanamine;methane
PubChem CID160988321
Molecular FormulaC5H15IN2
Molecular Weight230.09 g/mol
Exact Mass230.03
IUPAC Nameiodomethane;isocyanomethane;methanamine;methane
SMILESC.CI.CN.[C-]#[N+]C
InChIInChI=1S/C2H3N.CH3I.CH5N.CH4/c1-3-2;2*1-2;/h1H3;1H3;2H2,1H3;1H4
InChIKeyTUGXHBLVEXNZBP-UHFFFAOYSA-N
XLogP1.80
TPSA30.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 164100764
CID 164100764

Frequently Asked Questions

What is the IUPAC name of iodomethane;isocyanomethane;methanamine;methane?
The IUPAC name of iodomethane;isocyanomethane;methanamine;methane (CID 160988321) is iodomethane;isocyanomethane;methanamine;methane.
What is the SMILES notation for iodomethane;isocyanomethane;methanamine;methane?
The canonical SMILES for iodomethane;isocyanomethane;methanamine;methane is C.CI.CN.[C-]#[N+]C.
What is the InChIKey of iodomethane;isocyanomethane;methanamine;methane?
The InChIKey is TUGXHBLVEXNZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.CH3I.CH5N.CH4/c1-3-2;2*1-2;/h1H3;1H3;2H2,1H3;1H4.
What are the key properties of iodomethane;isocyanomethane;methanamine;methane?
iodomethane;isocyanomethane;methanamine;methane has a molecular weight of 230.09 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;isocyanomethane;methanamine;methane is sourced from PubChem (CID 160988321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).