(2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane

C10H19N — CID 134964918

IUPAC(2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane
SMILESCCC1CN2CCC1C[C@@H]2C
InChIInChI=1S/C10H19N/c1-3-9-7-11-5-4-10(9)6-8(11)2/h8-10H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyGSMWIRLUQHYEOD-IDKOKCKLSA-N
MW153.27 g/mol
LogP2.13
Rot. Bonds1

About (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane

(2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane (PubChem CID 134964918) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane
PubChem CID134964918
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane
SMILESCCC1CN2CCC1C[C@@H]2C
InChIInChI=1S/C10H19N/c1-3-9-7-11-5-4-10(9)6-8(11)2/h8-10H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyGSMWIRLUQHYEOD-IDKOKCKLSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane?
The IUPAC name of (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane (CID 134964918) is (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane is CCC1CN2CCC1C[C@@H]2C.
What is the InChIKey of (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane?
The InChIKey is GSMWIRLUQHYEOD-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H19N/c1-3-9-7-11-5-4-10(9)6-8(11)2/h8-10H,3-7H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane?
(2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane has a molecular weight of 153.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-ethyl-2-methyl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 134964918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).