2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine

C10H19NO — CID 156532744

IUPAC2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine
SMILESNCCOC1CC/C=C\CCC1
InChIInChI=1S/C10H19NO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9,11H2/b2-1-
InChIKeyROUACHHSHHDMPI-UPHRSURJSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine

2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine (PubChem CID 156532744) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine.

Molecular Properties

Compound Name2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine
PubChem CID156532744
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine
SMILESNCCOC1CC/C=C\CCC1
InChIInChI=1S/C10H19NO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9,11H2/b2-1-
InChIKeyROUACHHSHHDMPI-UPHRSURJSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine?
The IUPAC name of 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine (CID 156532744) is 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine.
What is the SMILES notation for 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine?
The canonical SMILES for 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine is NCCOC1CC/C=C\CCC1.
What is the InChIKey of 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine?
The InChIKey is ROUACHHSHHDMPI-UPHRSURJSA-N. The full InChI is InChI=1S/C10H19NO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9,11H2/b2-1-.
What are the key properties of 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine?
2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-cyclooct-4-en-1-yl]oxyethanamine is sourced from PubChem (CID 156532744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).