(1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine

C11H22N2O — CID 70193957

IUPAC(1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOCCN1[C@@H]2CC[C@H]1CC(N)C2
InChIInChI=1S/C11H22N2O/c1-2-14-6-5-13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3/t9?,10-,11+
InChIKeyGNDQSRJXHOBXEJ-FGWVZKOKSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds4

About (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine

(1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 70193957) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID70193957
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCOCCN1[C@@H]2CC[C@H]1CC(N)C2
InChIInChI=1S/C11H22N2O/c1-2-14-6-5-13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3/t9?,10-,11+
InChIKeyGNDQSRJXHOBXEJ-FGWVZKOKSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 70193957) is (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine is CCOCCN1[C@@H]2CC[C@H]1CC(N)C2.
What is the InChIKey of (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GNDQSRJXHOBXEJ-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-14-6-5-13-10-3-4-11(13)8-9(12)7-10/h9-11H,2-8,12H2,1H3/t9?,10-,11+.
What are the key properties of (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine?
(1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-(2-ethoxyethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 70193957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).