2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine

C12H23NO2 — CID 156531506

IUPAC2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine
SMILESNCCOCCOC1/C=C\CCCCC1
InChIInChI=1S/C12H23NO2/c13-8-9-14-10-11-15-12-6-4-2-1-3-5-7-12/h4,6,12H,1-3,5,7-11,13H2/b6-4-
InChIKeyKDQGXDOQINQEDB-XQRVVYSFSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds6

About 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine

2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine (PubChem CID 156531506) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine
PubChem CID156531506
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine
SMILESNCCOCCOC1/C=C\CCCCC1
InChIInChI=1S/C12H23NO2/c13-8-9-14-10-11-15-12-6-4-2-1-3-5-7-12/h4,6,12H,1-3,5,7-11,13H2/b6-4-
InChIKeyKDQGXDOQINQEDB-XQRVVYSFSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine?
The IUPAC name of 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine (CID 156531506) is 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine.
What is the SMILES notation for 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine?
The canonical SMILES for 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine is NCCOCCOC1/C=C\CCCCC1.
What is the InChIKey of 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine?
The InChIKey is KDQGXDOQINQEDB-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H23NO2/c13-8-9-14-10-11-15-12-6-4-2-1-3-5-7-12/h4,6,12H,1-3,5,7-11,13H2/b6-4-.
What are the key properties of 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine?
2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2Z)-cyclooct-2-en-1-yl]oxyethoxy]ethanamine is sourced from PubChem (CID 156531506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).