trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium

C12H28N2+2 — CID 6434938

IUPACtrimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium
SMILESC[N+](C)(C)CC/C=C/CC[N+](C)(C)C
InChIInChI=1S/C12H28N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-8H,9-12H2,1-6H3/q+2/b8-7+
InChIKeyXCGLZGLKWKCIAI-BQYQJAHWSA-N
MW200.37 g/mol
LogP1.74
Rot. Bonds6

About trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium

trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium (PubChem CID 6434938) has the molecular formula C12H28N2+2 and a molecular weight of 200.37 g/mol. Its IUPAC name is trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium
PubChem CID6434938
Molecular FormulaC12H28N2+2
Molecular Weight200.37 g/mol
Exact Mass200.22
IUPAC Nametrimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium
SMILESC[N+](C)(C)CC/C=C/CC[N+](C)(C)C
InChIInChI=1S/C12H28N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-8H,9-12H2,1-6H3/q+2/b8-7+
InChIKeyXCGLZGLKWKCIAI-BQYQJAHWSA-N
XLogP1.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium?
The IUPAC name of trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium (CID 6434938) is trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium.
What is the SMILES notation for trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium?
The canonical SMILES for trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium is C[N+](C)(C)CC/C=C/CC[N+](C)(C)C.
What is the InChIKey of trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium?
The InChIKey is XCGLZGLKWKCIAI-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H28N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-8H,9-12H2,1-6H3/q+2/b8-7+.
What are the key properties of trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium?
trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium has a molecular weight of 200.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-6-(trimethylazaniumyl)hex-3-enyl]azanium is sourced from PubChem (CID 6434938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).