1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine

C16H27NO — CID 55260869

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine
SMILESCC(NCCOC1CCCC1)C1CC2C=CC1C2
InChIInChI=1S/C16H27NO/c1-12(16-11-13-6-7-14(16)10-13)17-8-9-18-15-4-2-3-5-15/h6-7,12-17H,2-5,8-11H2,1H3
InChIKeyFTBMXJAJUFKAPK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.14
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine (PubChem CID 55260869) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine
PubChem CID55260869
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine
SMILESCC(NCCOC1CCCC1)C1CC2C=CC1C2
InChIInChI=1S/C16H27NO/c1-12(16-11-13-6-7-14(16)10-13)17-8-9-18-15-4-2-3-5-15/h6-7,12-17H,2-5,8-11H2,1H3
InChIKeyFTBMXJAJUFKAPK-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine (CID 55260869) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine is CC(NCCOC1CCCC1)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine?
The InChIKey is FTBMXJAJUFKAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(16-11-13-6-7-14(16)10-13)17-8-9-18-15-4-2-3-5-15/h6-7,12-17H,2-5,8-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclopentyloxyethyl)ethanamine is sourced from PubChem (CID 55260869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).