methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium

C6H14N2 — CID 58869976

IUPACmethanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium
SMILESC=C([NH+]([CH2-])C)[NH+]([CH2-])C
InChIInChI=1S/C6H14N2/c1-6(7(2)3)8(4)5/h7-8H,1-2,4H2,3,5H3
InChIKeyBUIPVVYCNQDEHD-UHFFFAOYSA-N
MW114.19 g/mol
LogP-1.93
Rot. Bonds2

About methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium

methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium (PubChem CID 58869976) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium.

Molecular Properties

Compound Namemethanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium
PubChem CID58869976
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Namemethanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium
SMILESC=C([NH+]([CH2-])C)[NH+]([CH2-])C
InChIInChI=1S/C6H14N2/c1-6(7(2)3)8(4)5/h7-8H,1-2,4H2,3,5H3
InChIKeyBUIPVVYCNQDEHD-UHFFFAOYSA-N
XLogP-1.93
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium?
The IUPAC name of methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium (CID 58869976) is methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium.
What is the SMILES notation for methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium?
The canonical SMILES for methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium is C=C([NH+]([CH2-])C)[NH+]([CH2-])C.
What is the InChIKey of methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium?
The InChIKey is BUIPVVYCNQDEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(7(2)3)8(4)5/h7-8H,1-2,4H2,3,5H3.
What are the key properties of methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium?
methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium has a molecular weight of 114.19 g/mol, XLogP of -1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[1-[methanidyl(methyl)azaniumyl]ethenyl]-methylazanium is sourced from PubChem (CID 58869976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).