trimethyl(prop-2-enyl)azanium iodide

C6H14IN — CID 26005

IUPACtrimethyl(prop-2-enyl)azanium iodide
SMILESC=CC[N+](C)(C)C.[I-]
InChIInChI=1S/C6H14N.HI/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1
InChIKeyQONMIDAMPXKNRX-UHFFFAOYSA-M
MW227.09 g/mol
LogP-2.12
Rot. Bonds2

About trimethyl(prop-2-enyl)azanium iodide

trimethyl(prop-2-enyl)azanium iodide (PubChem CID 26005) has the molecular formula C6H14IN and a molecular weight of 227.09 g/mol. Its IUPAC name is trimethyl(prop-2-enyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(prop-2-enyl)azanium iodide
PubChem CID26005
Molecular FormulaC6H14IN
Molecular Weight227.09 g/mol
Exact Mass227.02
IUPAC Nametrimethyl(prop-2-enyl)azanium iodide
SMILESC=CC[N+](C)(C)C.[I-]
InChIInChI=1S/C6H14N.HI/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1
InChIKeyQONMIDAMPXKNRX-UHFFFAOYSA-M
XLogP-2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enyl)azanium iodide?
The IUPAC name of trimethyl(prop-2-enyl)azanium iodide (CID 26005) is trimethyl(prop-2-enyl)azanium iodide.
What is the SMILES notation for trimethyl(prop-2-enyl)azanium iodide?
The canonical SMILES for trimethyl(prop-2-enyl)azanium iodide is C=CC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(prop-2-enyl)azanium iodide?
The InChIKey is QONMIDAMPXKNRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N.HI/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(prop-2-enyl)azanium iodide?
trimethyl(prop-2-enyl)azanium iodide has a molecular weight of 227.09 g/mol, XLogP of -2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enyl)azanium iodide is sourced from PubChem (CID 26005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).