2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine

C13H23NO3 — CID 123846401

IUPAC2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCC1CC2C=CC21
InChIInChI=1S/C13H23NO3/c14-3-4-15-5-6-16-7-8-17-10-12-9-11-1-2-13(11)12/h1-2,11-13H,3-10,14H2
InChIKeyRVLOBTZVKNSXLW-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.82
Rot. Bonds10

About 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine

2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine (PubChem CID 123846401) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine
PubChem CID123846401
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCC1CC2C=CC21
InChIInChI=1S/C13H23NO3/c14-3-4-15-5-6-16-7-8-17-10-12-9-11-1-2-13(11)12/h1-2,11-13H,3-10,14H2
InChIKeyRVLOBTZVKNSXLW-UHFFFAOYSA-N
XLogP0.82
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[2-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]ethoxy]ethoxy]ethanamine
CID 118226303
2-[2-[2-[[(1R)-2-bicyclo[2.2.0]hex-5-enyl]methoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 118233238
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 58241645
5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 59169045
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-[2-[(2,2-difluorocyclopropyl)methoxy]ethoxy]ethanamine;hydrochloride
CID 126845182
2-[(3-methylcyclobutyl)methoxy]ethanamine
CID 119054984
5-(cyclopentyloxymethyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 155012146
2-[2-[2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172611502
5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 90326541
2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
CID 106938444

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine (CID 123846401) is 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine is NCCOCCOCCOCC1CC2C=CC21.
What is the InChIKey of 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine?
The InChIKey is RVLOBTZVKNSXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c14-3-4-15-5-6-16-7-8-17-10-12-9-11-1-2-13(11)12/h1-2,11-13H,3-10,14H2.
What are the key properties of 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine?
2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 0.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bicyclo[2.2.0]hex-5-enylmethoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 123846401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).