methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium

C5H12N2+2 — CID 22887597

IUPACmethyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium
SMILESC=[N+](C)C[N+](=C)C
InChIInChI=1S/C5H12N2/c1-6(2)5-7(3)4/h1,3,5H2,2,4H3/q+2
InChIKeyOUDLUNMDCLTFQO-UHFFFAOYSA-N
MW100.16 g/mol
LogP-0.37
Rot. Bonds2

About methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium

methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium (PubChem CID 22887597) has the molecular formula C5H12N2+2 and a molecular weight of 100.16 g/mol. Its IUPAC name is methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium.

Molecular Properties

Compound Namemethyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium
PubChem CID22887597
Molecular FormulaC5H12N2+2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Namemethyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium
SMILESC=[N+](C)C[N+](=C)C
InChIInChI=1S/C5H12N2/c1-6(2)5-7(3)4/h1,3,5H2,2,4H3/q+2
InChIKeyOUDLUNMDCLTFQO-UHFFFAOYSA-N
XLogP-0.37
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium?
The IUPAC name of methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium (CID 22887597) is methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium.
What is the SMILES notation for methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium?
The canonical SMILES for methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium is C=[N+](C)C[N+](=C)C.
What is the InChIKey of methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium?
The InChIKey is OUDLUNMDCLTFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-6(2)5-7(3)4/h1,3,5H2,2,4H3/q+2.
What are the key properties of methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium?
methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium has a molecular weight of 100.16 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[[methyl(methylidene)azaniumyl]methyl]azanium is sourced from PubChem (CID 22887597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).