cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium

C11H18N+ — CID 123233405

IUPACcycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium
SMILESC=[N+](C)CC1=CC=CCCCC1
InChIInChI=1S/C11H18N/c1-12(2)10-11-8-6-4-3-5-7-9-11/h4,6,8H,1,3,5,7,9-10H2,2H3/q+1
InChIKeyFUQHMZJRSIRJOZ-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.39
Rot. Bonds2

About cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium

cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium (PubChem CID 123233405) has the molecular formula C11H18N+ and a molecular weight of 164.27 g/mol. Its IUPAC name is cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium.

Molecular Properties

Compound Namecycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium
PubChem CID123233405
Molecular FormulaC11H18N+
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Namecycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium
SMILESC=[N+](C)CC1=CC=CCCCC1
InChIInChI=1S/C11H18N/c1-12(2)10-11-8-6-4-3-5-7-9-11/h4,6,8H,1,3,5,7,9-10H2,2H3/q+1
InChIKeyFUQHMZJRSIRJOZ-UHFFFAOYSA-N
XLogP2.39
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium?
The IUPAC name of cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium (CID 123233405) is cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium.
What is the SMILES notation for cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium?
The canonical SMILES for cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium is C=[N+](C)CC1=CC=CCCCC1.
What is the InChIKey of cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium?
The InChIKey is FUQHMZJRSIRJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N/c1-12(2)10-11-8-6-4-3-5-7-9-11/h4,6,8H,1,3,5,7,9-10H2,2H3/q+1.
What are the key properties of cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium?
cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium has a molecular weight of 164.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,3-dien-1-ylmethyl-methyl-methylideneazanium is sourced from PubChem (CID 123233405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).