1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine

C15H25N — CID 171097739

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine
SMILESCC(N)(C1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C15H25N/c1-15(16,13-5-3-2-4-6-13)14-10-11-7-8-12(14)9-11/h7-8,11-14H,2-6,9-10,16H2,1H3
InChIKeyFBDBAPSWCGIJHE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.50
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine (PubChem CID 171097739) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine
PubChem CID171097739
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine
SMILESCC(N)(C1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C15H25N/c1-15(16,13-5-3-2-4-6-13)14-10-11-7-8-12(14)9-11/h7-8,11-14H,2-6,9-10,16H2,1H3
InChIKeyFBDBAPSWCGIJHE-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.50
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 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine (CID 171097739) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine is CC(N)(C1CCCCC1)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine?
The InChIKey is FBDBAPSWCGIJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-15(16,13-5-3-2-4-6-13)14-10-11-7-8-12(14)9-11/h7-8,11-14H,2-6,9-10,16H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine has a molecular weight of 219.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-1-cyclohexylethanamine is sourced from PubChem (CID 171097739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).