2-cyclooct-4-en-1-yloxyethanamine

C10H19NO — CID 77387381

IUPAC2-cyclooct-4-en-1-yloxyethanamine
SMILESNCCOC1CCC=CCCC1
InChIInChI=1S/C10H19NO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9,11H2
InChIKeyROUACHHSHHDMPI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About 2-cyclooct-4-en-1-yloxyethanamine

2-cyclooct-4-en-1-yloxyethanamine (PubChem CID 77387381) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-cyclooct-4-en-1-yloxyethanamine.

Molecular Properties

Compound Name2-cyclooct-4-en-1-yloxyethanamine
PubChem CID77387381
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-cyclooct-4-en-1-yloxyethanamine
SMILESNCCOC1CCC=CCCC1
InChIInChI=1S/C10H19NO/c11-8-9-12-10-6-4-2-1-3-5-7-10/h1-2,10H,3-9,11H2
InChIKeyROUACHHSHHDMPI-UHFFFAOYSA-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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Related Compounds

2-[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxyethanamine
CID 168141258
2-[(E)-octadec-6-enoxy]ethanamine
CID 139596631
2-[(4E)-cyclooct-4-en-1-yl]oxyethanamine
CID 68017934
2-[(4E)-cyclooct-4-en-1-yl]oxyethylhydrazine
CID 68017955
2-[(4E)-cyclooct-4-en-1-yl]oxy-N-methylethanamine
CID 68017958
2-Cyclooct-4-en-1-yloxyethylhydrazine
CID 77387392
2-cyclooct-4-en-1-yloxy-N-methylethanamine
CID 77387394
2-[(Z)-octadec-9-enoxy]ethanamine
CID 88301932
2-Cyclohex-3-en-1-yloxyethanamine
CID 89197318
2-[(9Z,12Z)-octadeca-9,12-dienoxy]ethanamine
CID 90077631
2-Cyclooct-2-en-1-yloxyethanamine
CID 123280115
2-Octadeca-9,12-dienoxyethanamine
CID 123965173

Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-4-en-1-yloxyethanamine?
The IUPAC name of 2-cyclooct-4-en-1-yloxyethanamine (CID 77387381) is 2-cyclooct-4-en-1-yloxyethanamine.
What is the SMILES notation for 2-cyclooct-4-en-1-yloxyethanamine?
The canonical SMILES for 2-cyclooct-4-en-1-yloxyethanamine is NCCOC1CCC=CCCC1.
What is the InChIKey of 2-cyclooct-4-en-1-yloxyethanamine?
The InChIKey is ROUACHHSHHDMPI-UHFFFAOYSA-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.
What are the key properties of 2-cyclooct-4-en-1-yloxyethanamine?
2-cyclooct-4-en-1-yloxyethanamine 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-cyclooct-4-en-1-yloxyethanamine is sourced from PubChem (CID 77387381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).