cyclopenta-1,3-diene;tetramethylazanium

C9H17N — CID 134880327

IUPACcyclopenta-1,3-diene;tetramethylazanium
SMILESC[N+](C)(C)C.c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H12N/c1-2-4-5-3-1;1-5(2,3)4/h1-5H;1-4H3/q-1;+1
InChIKeyLUFWWAHXVACZMO-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.73
Rot. Bonds

About cyclopenta-1,3-diene;tetramethylazanium

cyclopenta-1,3-diene;tetramethylazanium (PubChem CID 134880327) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tetramethylazanium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;tetramethylazanium
PubChem CID134880327
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namecyclopenta-1,3-diene;tetramethylazanium
SMILESC[N+](C)(C)C.c1cc[cH-]c1
InChIInChI=1S/C5H5.C4H12N/c1-2-4-5-3-1;1-5(2,3)4/h1-5H;1-4H3/q-1;+1
InChIKeyLUFWWAHXVACZMO-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tetramethylazanium?
The IUPAC name of cyclopenta-1,3-diene;tetramethylazanium (CID 134880327) is cyclopenta-1,3-diene;tetramethylazanium.
What is the SMILES notation for cyclopenta-1,3-diene;tetramethylazanium?
The canonical SMILES for cyclopenta-1,3-diene;tetramethylazanium is C[N+](C)(C)C.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;tetramethylazanium?
The InChIKey is LUFWWAHXVACZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H12N/c1-2-4-5-3-1;1-5(2,3)4/h1-5H;1-4H3/q-1;+1.
What are the key properties of cyclopenta-1,3-diene;tetramethylazanium?
cyclopenta-1,3-diene;tetramethylazanium has a molecular weight of 139.24 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;tetramethylazanium is sourced from PubChem (CID 134880327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).