2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine

C12H23NO — CID 77387393

IUPAC2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1CCC=CCCC1
InChIInChI=1S/C12H23NO/c1-13(2)10-11-14-12-8-6-4-3-5-7-9-12/h3-4,12H,5-11H2,1-2H3
InChIKeyXYTMNLNJNZLXFN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.45
Rot. Bonds4

About 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine

2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine (PubChem CID 77387393) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine
PubChem CID77387393
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1CCC=CCCC1
InChIInChI=1S/C12H23NO/c1-13(2)10-11-14-12-8-6-4-3-5-7-9-12/h3-4,12H,5-11H2,1-2H3
InChIKeyXYTMNLNJNZLXFN-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oleylcholinchlorid
CID 129639420
Oleylcholinjodid
CID 129639436
1-(2'Dimethylaminoethoxy)cyclooctene
CID 129660754
Trimethyl(2-tetracos-15-enoxyethyl)azanium
CID 53914796
2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]oxy-N,N-dimethylethanamine
CID 57500237
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-heptatriaconta-6,9,28,31-tetraen-19-yloxy-N,N-dimethylethanamine
CID 76549512
2-cyclooct-4-en-1-yloxy-N-methylethanamine
CID 77387394
N,N-dimethyl-2-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-1-amine
CID 87202751
trimethyl-[2-[(Z)-tetracos-15-enoxy]ethyl]azanium
CID 88418230
N,N-dimethyl-2-[(11Z,14Z)-3-[(9Z,12Z)-octadeca-9,12-dienoxy]icosa-11,14-dienoxy]ethanamine
CID 88549267

Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine?
The IUPAC name of 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine (CID 77387393) is 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine?
The canonical SMILES for 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine is CN(C)CCOC1CCC=CCCC1.
What is the InChIKey of 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine?
The InChIKey is XYTMNLNJNZLXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-13(2)10-11-14-12-8-6-4-3-5-7-9-12/h3-4,12H,5-11H2,1-2H3.
What are the key properties of 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine?
2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooct-4-en-1-yloxy-N,N-dimethylethanamine is sourced from PubChem (CID 77387393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).