2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine

C10H17N — CID 67735189

IUPAC2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine
SMILESNCCC12C=CC(CC1)CC2
InChIInChI=1S/C10H17N/c11-8-7-10-4-1-9(2-5-10)3-6-10/h1,4,9H,2-3,5-8,11H2
InChIKeyBTUPCLVAHQYJNS-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.08
Rot. Bonds2

About 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine

2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine (PubChem CID 67735189) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine
PubChem CID67735189
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine
SMILESNCCC12C=CC(CC1)CC2
InChIInChI=1S/C10H17N/c11-8-7-10-4-1-9(2-5-10)3-6-10/h1,4,9H,2-3,5-8,11H2
InChIKeyBTUPCLVAHQYJNS-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine?
The IUPAC name of 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine (CID 67735189) is 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine.
What is the SMILES notation for 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine?
The canonical SMILES for 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine is NCCC12C=CC(CC1)CC2.
What is the InChIKey of 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine?
The InChIKey is BTUPCLVAHQYJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c11-8-7-10-4-1-9(2-5-10)3-6-10/h1,4,9H,2-3,5-8,11H2.
What are the key properties of 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine?
2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine has a molecular weight of 151.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.2]oct-2-enyl)ethanamine is sourced from PubChem (CID 67735189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).