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

C14H21N3 — CID 54951230

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)C1CC2C=CC1C2
InChIInChI=1S/C14H21N3/c1-11(14-10-12-3-4-13(14)9-12)15-6-8-17-7-2-5-16-17/h2-5,7,11-15H,6,8-10H2,1H3
InChIKeyLGZPVKQBZWPFTA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.07
Rot. Bonds5

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

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 54951230) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID54951230
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)C1CC2C=CC1C2
InChIInChI=1S/C14H21N3/c1-11(14-10-12-3-4-13(14)9-12)15-6-8-17-7-2-5-16-17/h2-5,7,11-15H,6,8-10H2,1H3
InChIKeyLGZPVKQBZWPFTA-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 54951230) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine is CC(NCCn1cccn1)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is LGZPVKQBZWPFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(14-10-12-3-4-13(14)9-12)15-6-8-17-7-2-5-16-17/h2-5,7,11-15H,6,8-10H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 54951230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).