3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide

C15H26IN — CID 71966166

IUPAC3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide
SMILESCC1(C)C2CC=C(C=CC[N+](C)(C)C)C1C2.[I-]
InChIInChI=1S/C15H26N.HI/c1-15(2)13-9-8-12(14(15)11-13)7-6-10-16(3,4)5;/h6-8,13-14H,9-11H2,1-5H3;1H/q+1;/p-1
InChIKeyGQMFEMYDFLRSLB-UHFFFAOYSA-M
MW347.28 g/mol
LogP0.25
Rot. Bonds3

About 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide

3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide (PubChem CID 71966166) has the molecular formula C15H26IN and a molecular weight of 347.28 g/mol. Its IUPAC name is 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide.

Molecular Properties

Compound Name3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide
PubChem CID71966166
Molecular FormulaC15H26IN
Molecular Weight347.28 g/mol
Exact Mass347.11
IUPAC Name3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide
SMILESCC1(C)C2CC=C(C=CC[N+](C)(C)C)C1C2.[I-]
InChIInChI=1S/C15H26N.HI/c1-15(2)13-9-8-12(14(15)11-13)7-6-10-16(3,4)5;/h6-8,13-14H,9-11H2,1-5H3;1H/q+1;/p-1
InChIKeyGQMFEMYDFLRSLB-UHFFFAOYSA-M
XLogP0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide 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 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide?
The IUPAC name of 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide (CID 71966166) is 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide.
What is the SMILES notation for 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide?
The canonical SMILES for 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide is CC1(C)C2CC=C(C=CC[N+](C)(C)C)C1C2.[I-].
What is the InChIKey of 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide?
The InChIKey is GQMFEMYDFLRSLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H26N.HI/c1-15(2)13-9-8-12(14(15)11-13)7-6-10-16(3,4)5;/h6-8,13-14H,9-11H2,1-5H3;1H/q+1;/p-1.
What are the key properties of 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide?
3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide has a molecular weight of 347.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)prop-2-enyl-trimethylazanium iodide is sourced from PubChem (CID 71966166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).