8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane

C14H27NO — CID 58584479

IUPAC8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane
SMILESCCC1(OC)CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C14H27NO/c1-6-14(16-5)9-11-7-8-12(10-14)15(11)13(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeyBRVQTJHOEDXEFI-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.21
Rot. Bonds2

About 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane

8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane (PubChem CID 58584479) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane
PubChem CID58584479
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane
SMILESCCC1(OC)CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C14H27NO/c1-6-14(16-5)9-11-7-8-12(10-14)15(11)13(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeyBRVQTJHOEDXEFI-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane (CID 58584479) is 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane is CCC1(OC)CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is BRVQTJHOEDXEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-14(16-5)9-11-7-8-12(10-14)15(11)13(2,3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane?
8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 225.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-ethyl-3-methoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 58584479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).