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

C8H15N — CID 101156175

IUPAC(2S)-2-methyl-1-azabicyclo[2.2.2]octane
SMILESC[C@H]1CC2CCN1CC2
InChIInChI=1S/C8H15N/c1-7-6-8-2-4-9(7)5-3-8/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKeyVDWODSPSMJMZQI-ZETCQYMHSA-N
MW125.22 g/mol
LogP1.49
Rot. Bonds

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

(2S)-2-methyl-1-azabicyclo[2.2.2]octane (PubChem CID 101156175) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (2S)-2-methyl-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2S)-2-methyl-1-azabicyclo[2.2.2]octane
PubChem CID101156175
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(2S)-2-methyl-1-azabicyclo[2.2.2]octane
SMILESC[C@H]1CC2CCN1CC2
InChIInChI=1S/C8H15N/c1-7-6-8-2-4-9(7)5-3-8/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKeyVDWODSPSMJMZQI-ZETCQYMHSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-azabicyclo[2.2.2]octane?
The IUPAC name of (2S)-2-methyl-1-azabicyclo[2.2.2]octane (CID 101156175) is (2S)-2-methyl-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (2S)-2-methyl-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (2S)-2-methyl-1-azabicyclo[2.2.2]octane is C[C@H]1CC2CCN1CC2.
What is the InChIKey of (2S)-2-methyl-1-azabicyclo[2.2.2]octane?
The InChIKey is VDWODSPSMJMZQI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N/c1-7-6-8-2-4-9(7)5-3-8/h7-8H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-1-azabicyclo[2.2.2]octane?
(2S)-2-methyl-1-azabicyclo[2.2.2]octane has a molecular weight of 125.22 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 101156175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).