methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium

C8H14N2+2 — CID 123315107

IUPACmethyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium
SMILESC#[N+]C(C)=CC(C)[N+](=C)C
InChIInChI=1S/C8H14N2/c1-7(9-3)6-8(2)10(4)5/h3,6,8H,4H2,1-2,5H3/q+2
InChIKeyVNYLCUPBGDXCJD-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds2

About methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium

methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium (PubChem CID 123315107) has the molecular formula C8H14N2+2 and a molecular weight of 138.21 g/mol. Its IUPAC name is methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium.

Molecular Properties

Compound Namemethyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium
PubChem CID123315107
Molecular FormulaC8H14N2+2
Molecular Weight138.21 g/mol
Exact Mass138.11
IUPAC Namemethyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium
SMILESC#[N+]C(C)=CC(C)[N+](=C)C
InChIInChI=1S/C8H14N2/c1-7(9-3)6-8(2)10(4)5/h3,6,8H,4H2,1-2,5H3/q+2
InChIKeyVNYLCUPBGDXCJD-UHFFFAOYSA-N
XLogP1.58
TPSA7.37 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1,1,1,5,5,5-Hexafluoro-4-methylidyneazaniumylpent-2-en-2-yl)-methyl-methylideneazanium
CID 123299276
(Z)-2-N,4-N-diethyl-2-N,4-N-dimethylpent-2-ene-2,4-diamine
CID 130267393
3-isocyano-1,5-dimethyl-3H-pyrrol-1-ium
CID 172513811

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium?
The IUPAC name of methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium (CID 123315107) is methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium.
What is the SMILES notation for methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium?
The canonical SMILES for methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium is C#[N+]C(C)=CC(C)[N+](=C)C.
What is the InChIKey of methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium?
The InChIKey is VNYLCUPBGDXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(9-3)6-8(2)10(4)5/h3,6,8H,4H2,1-2,5H3/q+2.
What are the key properties of methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium?
methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium has a molecular weight of 138.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(4-methylidyneazaniumylpent-3-en-2-yl)azanium is sourced from PubChem (CID 123315107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).