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

C9H15N — CID 23186386

IUPAC2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine
SMILESNCCC12C=CC(CC1)C2
InChIInChI=1S/C9H15N/c10-6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7,10H2
InChIKeyKCSFWQMXBIKNAC-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.69
Rot. Bonds2

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

2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine (PubChem CID 23186386) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine
PubChem CID23186386
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine
SMILESNCCC12C=CC(CC1)C2
InChIInChI=1S/C9H15N/c10-6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7,10H2
InChIKeyKCSFWQMXBIKNAC-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.69
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[2.2.1]hept-2-enyl)ethanamine?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine (CID 23186386) is 2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine is NCCC12C=CC(CC1)C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine?
The InChIKey is KCSFWQMXBIKNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c10-6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7,10H2.
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine?
2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enyl)ethanamine is sourced from PubChem (CID 23186386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).