[(E)-hex-2-enyl]-trimethylazanium chloride

C9H20ClN — CID 19848213

IUPAC[(E)-hex-2-enyl]-trimethylazanium chloride
SMILESCCC/C=C/C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20N.ClH/c1-5-6-7-8-9-10(2,3)4;/h7-8H,5-6,9H2,1-4H3;1H/q+1;/p-1/b8-7+;
InChIKeyOHXWKJUOMQUCFS-USRGLUTNSA-M
MW177.72 g/mol
LogP-0.95
Rot. Bonds4

About [(E)-hex-2-enyl]-trimethylazanium chloride

[(E)-hex-2-enyl]-trimethylazanium chloride (PubChem CID 19848213) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is [(E)-hex-2-enyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[(E)-hex-2-enyl]-trimethylazanium chloride
PubChem CID19848213
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name[(E)-hex-2-enyl]-trimethylazanium chloride
SMILESCCC/C=C/C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C9H20N.ClH/c1-5-6-7-8-9-10(2,3)4;/h7-8H,5-6,9H2,1-4H3;1H/q+1;/p-1/b8-7+;
InChIKeyOHXWKJUOMQUCFS-USRGLUTNSA-M
XLogP-0.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 5-0.95
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 [(E)-hex-2-enyl]-trimethylazanium chloride 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 [(E)-hex-2-enyl]-trimethylazanium chloride?
The IUPAC name of [(E)-hex-2-enyl]-trimethylazanium chloride (CID 19848213) is [(E)-hex-2-enyl]-trimethylazanium chloride.
What is the SMILES notation for [(E)-hex-2-enyl]-trimethylazanium chloride?
The canonical SMILES for [(E)-hex-2-enyl]-trimethylazanium chloride is CCC/C=C/C[N+](C)(C)C.[Cl-].
What is the InChIKey of [(E)-hex-2-enyl]-trimethylazanium chloride?
The InChIKey is OHXWKJUOMQUCFS-USRGLUTNSA-M. The full InChI is InChI=1S/C9H20N.ClH/c1-5-6-7-8-9-10(2,3)4;/h7-8H,5-6,9H2,1-4H3;1H/q+1;/p-1/b8-7+;.
What are the key properties of [(E)-hex-2-enyl]-trimethylazanium chloride?
[(E)-hex-2-enyl]-trimethylazanium chloride has a molecular weight of 177.72 g/mol, XLogP of -0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl]-trimethylazanium chloride is sourced from PubChem (CID 19848213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).