8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H28N2O3 — CID 104565118

IUPAC8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOCCOCCOCCN1C2CCC1CC(N)C2
InChIInChI=1S/C14H28N2O3/c1-17-6-7-19-9-8-18-5-4-16-13-2-3-14(16)11-12(15)10-13/h12-14H,2-11,15H2,1H3
InChIKeyLQETXWATDOOLEC-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.62
Rot. Bonds9

About 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 104565118) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID104565118
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOCCOCCOCCN1C2CCC1CC(N)C2
InChIInChI=1S/C14H28N2O3/c1-17-6-7-19-9-8-18-5-4-16-13-2-3-14(16)11-12(15)10-13/h12-14H,2-11,15H2,1H3
InChIKeyLQETXWATDOOLEC-UHFFFAOYSA-N
XLogP0.62
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octane
CID 104567144
2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]ethanol
CID 61234287
2-[2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethoxy]acetamide
CID 106239226
9-[2-(cyclopropylmethoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103815957
8-(3-methoxy-3-methylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 103034831
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 70332467
5-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)pentyl acetate;dihydrochloride
CID 18919570
8-(2-methylsulfanylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63960241
3-chloro-8-[2-(3-methylbutoxy)ethyl]-8-azabicyclo[3.2.1]octane
CID 55237403
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 61234625
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N,N-dimethylpropanamide
CID 61234096
3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-amine
CID 79466003

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 104565118) is 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine is COCCOCCOCCN1C2CCC1CC(N)C2.
What is the InChIKey of 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LQETXWATDOOLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-17-6-7-19-9-8-18-5-4-16-13-2-3-14(16)11-12(15)10-13/h12-14H,2-11,15H2,1H3.
What are the key properties of 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.39 g/mol, XLogP of 0.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 104565118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).