2-cyclooct-4-en-1-yloxy-N-methylethanamine

C11H21NO — CID 77387394

IUPAC2-cyclooct-4-en-1-yloxy-N-methylethanamine
SMILESCNCCOC1CCC=CCCC1
InChIInChI=1S/C11H21NO/c1-12-9-10-13-11-7-5-3-2-4-6-8-11/h2-3,11-12H,4-10H2,1H3
InChIKeyUWLGHXUHRKXISB-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About 2-cyclooct-4-en-1-yloxy-N-methylethanamine

2-cyclooct-4-en-1-yloxy-N-methylethanamine (PubChem CID 77387394) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-cyclooct-4-en-1-yloxy-N-methylethanamine.

Molecular Properties

Compound Name2-cyclooct-4-en-1-yloxy-N-methylethanamine
PubChem CID77387394
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-cyclooct-4-en-1-yloxy-N-methylethanamine
SMILESCNCCOC1CCC=CCCC1
InChIInChI=1S/C11H21NO/c1-12-9-10-13-11-7-5-3-2-4-6-8-11/h2-3,11-12H,4-10H2,1H3
InChIKeyUWLGHXUHRKXISB-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxy-N-methylethanamine
CID 156282317
2-[(4Z)-6-fluoro-6-methylcyclooct-4-en-1-yl]oxy-N-methylethanamine
CID 167046612
2-cyclohex-2-en-1-yloxy-N-methylethanamine
CID 58684193
2-[(Z)-heptadec-8-enoxy]-N-methylethanamine
CID 59117586
2-[(4E)-cyclooct-4-en-1-yl]oxyethanamine
CID 68017934
2-[(4E)-cyclooct-4-en-1-yl]oxy-N,N-dimethylethanamine
CID 68017957
2-[(4E)-cyclooct-4-en-1-yl]oxy-N-methylethanamine
CID 68017958
2-heptadec-8-enoxy-N-methylethanamine
CID 72521648
2-Cyclooct-4-en-1-yloxyethanamine
CID 77387381
2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine
CID 77387393
N-ethyl-2-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine
CID 88888767
(2S)-N-ethyl-2-[(11Z,14Z)-icosa-11,14-dienoxy]propan-1-amine
CID 88888771

Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-4-en-1-yloxy-N-methylethanamine?
The IUPAC name of 2-cyclooct-4-en-1-yloxy-N-methylethanamine (CID 77387394) is 2-cyclooct-4-en-1-yloxy-N-methylethanamine.
What is the SMILES notation for 2-cyclooct-4-en-1-yloxy-N-methylethanamine?
The canonical SMILES for 2-cyclooct-4-en-1-yloxy-N-methylethanamine is CNCCOC1CCC=CCCC1.
What is the InChIKey of 2-cyclooct-4-en-1-yloxy-N-methylethanamine?
The InChIKey is UWLGHXUHRKXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12-9-10-13-11-7-5-3-2-4-6-8-11/h2-3,11-12H,4-10H2,1H3.
What are the key properties of 2-cyclooct-4-en-1-yloxy-N-methylethanamine?
2-cyclooct-4-en-1-yloxy-N-methylethanamine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 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-yloxy-N-methylethanamine is sourced from PubChem (CID 77387394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).