2-[(4E)-cyclooct-4-en-1-yl]ethanamine

C10H19N — CID 174324919

IUPAC2-[(4E)-cyclooct-4-en-1-yl]ethanamine
SMILESNCCC1CC/C=C\CCC1
InChIInChI=1S/C10H19N/c11-9-8-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9,11H2/b2-1-
InChIKeyZNFJTIPGAWALNH-UPHRSURJSA-N
MW153.27 g/mol
LogP2.47
Rot. Bonds2

About 2-[(4E)-cyclooct-4-en-1-yl]ethanamine

2-[(4E)-cyclooct-4-en-1-yl]ethanamine (PubChem CID 174324919) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-[(4E)-cyclooct-4-en-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(4E)-cyclooct-4-en-1-yl]ethanamine
PubChem CID174324919
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-[(4E)-cyclooct-4-en-1-yl]ethanamine
SMILESNCCC1CC/C=C\CCC1
InChIInChI=1S/C10H19N/c11-9-8-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9,11H2/b2-1-
InChIKeyZNFJTIPGAWALNH-UPHRSURJSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.47
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-[(4E)-cyclooct-4-en-1-yl]ethanamine?
The IUPAC name of 2-[(4E)-cyclooct-4-en-1-yl]ethanamine (CID 174324919) is 2-[(4E)-cyclooct-4-en-1-yl]ethanamine.
What is the SMILES notation for 2-[(4E)-cyclooct-4-en-1-yl]ethanamine?
The canonical SMILES for 2-[(4E)-cyclooct-4-en-1-yl]ethanamine is NCCC1CC/C=C\CCC1.
What is the InChIKey of 2-[(4E)-cyclooct-4-en-1-yl]ethanamine?
The InChIKey is ZNFJTIPGAWALNH-UPHRSURJSA-N. The full InChI is InChI=1S/C10H19N/c11-9-8-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9,11H2/b2-1-.
What are the key properties of 2-[(4E)-cyclooct-4-en-1-yl]ethanamine?
2-[(4E)-cyclooct-4-en-1-yl]ethanamine has a molecular weight of 153.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-cyclooct-4-en-1-yl]ethanamine is sourced from PubChem (CID 174324919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).