(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

C8H16N2 — CID 45087841

IUPAC(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC[C@@H]1[C@@H](N)C2CCN1CC2
InChIInChI=1S/C8H16N2/c1-6-8(9)7-2-4-10(6)5-3-7/h6-8H,2-5,9H2,1H3/t6-,8-/m1/s1
InChIKeyNIBLFQFBAYHCQS-HTRCEHHLSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds

About (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 45087841) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID45087841
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC[C@@H]1[C@@H](N)C2CCN1CC2
InChIInChI=1S/C8H16N2/c1-6-8(9)7-2-4-10(6)5-3-7/h6-8H,2-5,9H2,1H3/t6-,8-/m1/s1
InChIKeyNIBLFQFBAYHCQS-HTRCEHHLSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 45087841) is (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is C[C@@H]1[C@@H](N)C2CCN1CC2.
What is the InChIKey of (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is NIBLFQFBAYHCQS-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-8(9)7-2-4-10(6)5-3-7/h6-8H,2-5,9H2,1H3/t6-,8-/m1/s1.
What are the key properties of (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
(2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 45087841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).