11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium

C15H24N+ — CID 100949237

IUPAC11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium
SMILESCC[N+](CC)=C1C2CCCC#CCCCC12
InChIInChI=1S/C15H24N/c1-3-16(4-2)15-13-11-9-7-5-6-8-10-12-14(13)15/h13-14H,3-4,7-12H2,1-2H3/q+1
InChIKeyRZYIPJHVNMOVNO-UHFFFAOYSA-N
MW218.36 g/mol
LogP3.08
Rot. Bonds2

About 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium

11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium (PubChem CID 100949237) has the molecular formula C15H24N+ and a molecular weight of 218.36 g/mol. Its IUPAC name is 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium.

Molecular Properties

Compound Name11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium
PubChem CID100949237
Molecular FormulaC15H24N+
Molecular Weight218.36 g/mol
Exact Mass218.19
IUPAC Name11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium
SMILESCC[N+](CC)=C1C2CCCC#CCCCC12
InChIInChI=1S/C15H24N/c1-3-16(4-2)15-13-11-9-7-5-6-8-10-12-14(13)15/h13-14H,3-4,7-12H2,1-2H3/q+1
InChIKeyRZYIPJHVNMOVNO-UHFFFAOYSA-N
XLogP3.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 53.08
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium?
The IUPAC name of 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium (CID 100949237) is 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium.
What is the SMILES notation for 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium?
The canonical SMILES for 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium is CC[N+](CC)=C1C2CCCC#CCCCC12.
What is the InChIKey of 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium?
The InChIKey is RZYIPJHVNMOVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N/c1-3-16(4-2)15-13-11-9-7-5-6-8-10-12-14(13)15/h13-14H,3-4,7-12H2,1-2H3/q+1.
What are the key properties of 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium?
11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium has a molecular weight of 218.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bicyclo[8.1.0]undec-5-ynylidene(diethyl)azanium is sourced from PubChem (CID 100949237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).