tetrakis(prop-2-enyl)azanium chloride

C12H20ClN — CID 11264347

IUPACtetrakis(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CC=C)(CC=C)CC=C.[Cl-]
InChIInChI=1S/C12H20N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;/p-1
InChIKeyHKIXKEXVXNUDOX-UHFFFAOYSA-M
MW213.75 g/mol
LogP-0.45
Rot. Bonds8

About tetrakis(prop-2-enyl)azanium chloride

tetrakis(prop-2-enyl)azanium chloride (PubChem CID 11264347) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is tetrakis(prop-2-enyl)azanium chloride.

Molecular Properties

Compound Nametetrakis(prop-2-enyl)azanium chloride
PubChem CID11264347
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Nametetrakis(prop-2-enyl)azanium chloride
SMILESC=CC[N+](CC=C)(CC=C)CC=C.[Cl-]
InChIInChI=1S/C12H20N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;/p-1
InChIKeyHKIXKEXVXNUDOX-UHFFFAOYSA-M
XLogP-0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 5-0.45
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 tetrakis(prop-2-enyl)azanium 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 tetrakis(prop-2-enyl)azanium chloride?
The IUPAC name of tetrakis(prop-2-enyl)azanium chloride (CID 11264347) is tetrakis(prop-2-enyl)azanium chloride.
What is the SMILES notation for tetrakis(prop-2-enyl)azanium chloride?
The canonical SMILES for tetrakis(prop-2-enyl)azanium chloride is C=CC[N+](CC=C)(CC=C)CC=C.[Cl-].
What is the InChIKey of tetrakis(prop-2-enyl)azanium chloride?
The InChIKey is HKIXKEXVXNUDOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.ClH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;/p-1.
What are the key properties of tetrakis(prop-2-enyl)azanium chloride?
tetrakis(prop-2-enyl)azanium chloride has a molecular weight of 213.75 g/mol, XLogP of -0.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(prop-2-enyl)azanium chloride is sourced from PubChem (CID 11264347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).