[dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium

C9H24N3+3 — CID 21299681

IUPAC[dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium
SMILESC[N+](C)=C([N+](C)(C)C)[N+](C)(C)C
InChIInChI=1S/C9H24N3/c1-10(2)9(11(3,4)5)12(6,7)8/h1-8H3/q+3
InChIKeyFUDMFHJRNYXVSF-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.03
Rot. Bonds

About [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium

[dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium (PubChem CID 21299681) has the molecular formula C9H24N3+3 and a molecular weight of 174.31 g/mol. Its IUPAC name is [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium.

Molecular Properties

Compound Name[dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium
PubChem CID21299681
Molecular FormulaC9H24N3+3
Molecular Weight174.31 g/mol
Exact Mass174.20
IUPAC Name[dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium
SMILESC[N+](C)=C([N+](C)(C)C)[N+](C)(C)C
InChIInChI=1S/C9H24N3/c1-10(2)9(11(3,4)5)12(6,7)8/h1-8H3/q+3
InChIKeyFUDMFHJRNYXVSF-UHFFFAOYSA-N
XLogP0.03
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium?
The IUPAC name of [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium (CID 21299681) is [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium.
What is the SMILES notation for [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium?
The canonical SMILES for [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium is C[N+](C)=C([N+](C)(C)C)[N+](C)(C)C.
What is the InChIKey of [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium?
The InChIKey is FUDMFHJRNYXVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N3/c1-10(2)9(11(3,4)5)12(6,7)8/h1-8H3/q+3.
What are the key properties of [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium?
[dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium has a molecular weight of 174.31 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylazaniumylidene-(trimethylazaniumyl)methyl]-trimethylazanium is sourced from PubChem (CID 21299681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).