2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine

C11H20N2 — CID 18439186

IUPAC2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
SMILESNCCC1=CC2CC(CCN)C1C2
InChIInChI=1S/C11H20N2/c12-3-1-9-5-8-6-10(2-4-13)11(9)7-8/h5,8,10-11H,1-4,6-7,12-13H2
InChIKeyBRFORYRQKWRWAO-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.27
Rot. Bonds4

About 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine

2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine (PubChem CID 18439186) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
PubChem CID18439186
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
SMILESNCCC1=CC2CC(CCN)C1C2
InChIInChI=1S/C11H20N2/c12-3-1-9-5-8-6-10(2-4-13)11(9)7-8/h5,8,10-11H,1-4,6-7,12-13H2
InChIKeyBRFORYRQKWRWAO-UHFFFAOYSA-N
XLogP1.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine?
The IUPAC name of 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine (CID 18439186) is 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine.
What is the SMILES notation for 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine?
The canonical SMILES for 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine is NCCC1=CC2CC(CCN)C1C2.
What is the InChIKey of 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine?
The InChIKey is BRFORYRQKWRWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c12-3-1-9-5-8-6-10(2-4-13)11(9)7-8/h5,8,10-11H,1-4,6-7,12-13H2.
What are the key properties of 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine?
2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine has a molecular weight of 180.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-aminoethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine is sourced from PubChem (CID 18439186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).