2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine

C10H15N — CID 163846856

IUPAC2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine
SMILESNCCC1C2=CCCC3C2C13
InChIInChI=1S/C10H15N/c11-5-4-7-6-2-1-3-8-9(6)10(7)8/h2,7-10H,1,3-5,11H2
InChIKeyOQYFQAQXGJZBGV-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.55
Rot. Bonds2

About 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine

2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine (PubChem CID 163846856) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine.

Molecular Properties

Compound Name2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine
PubChem CID163846856
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine
SMILESNCCC1C2=CCCC3C2C13
InChIInChI=1S/C10H15N/c11-5-4-7-6-2-1-3-8-9(6)10(7)8/h2,7-10H,1,3-5,11H2
InChIKeyOQYFQAQXGJZBGV-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.55
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-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine?
The IUPAC name of 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine (CID 163846856) is 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine.
What is the SMILES notation for 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine?
The canonical SMILES for 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine is NCCC1C2=CCCC3C2C13.
What is the InChIKey of 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine?
The InChIKey is OQYFQAQXGJZBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c11-5-4-7-6-2-1-3-8-9(6)10(7)8/h2,7-10H,1,3-5,11H2.
What are the key properties of 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine?
2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine has a molecular weight of 149.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tricyclo[4.2.0.02,8]oct-5-enyl)ethanamine is sourced from PubChem (CID 163846856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).