tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

C15H28N2O3 — CID 61238782

IUPACtert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCOCCNC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-12-5-6-13(17)10-11(9-12)16-7-8-19-4/h11-13,16H,5-10H2,1-4H3
InChIKeyXETASZCRSZUIJM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.15
Rot. Bonds4

About tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 61238782) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID61238782
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCOCCNC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-12-5-6-13(17)10-11(9-12)16-7-8-19-4/h11-13,16H,5-10H2,1-4H3
InChIKeyXETASZCRSZUIJM-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 61238782) is tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is COCCNC1CC2CCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is XETASZCRSZUIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)17-12-5-6-13(17)10-11(9-12)16-7-8-19-4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methoxyethylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 61238782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).