2-methyl-2-azabicyclo[2.2.2]octan-5-amine

C8H16N2 — CID 14788283

IUPAC2-methyl-2-azabicyclo[2.2.2]octan-5-amine
SMILESCN1CC2CCC1CC2N
InChIInChI=1S/C8H16N2/c1-10-5-6-2-3-7(10)4-8(6)9/h6-8H,2-5,9H2,1H3
InChIKeyQZEUTDQHZMMSNS-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds

About 2-methyl-2-azabicyclo[2.2.2]octan-5-amine

2-methyl-2-azabicyclo[2.2.2]octan-5-amine (PubChem CID 14788283) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[2.2.2]octan-5-amine.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[2.2.2]octan-5-amine
PubChem CID14788283
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-2-azabicyclo[2.2.2]octan-5-amine
SMILESCN1CC2CCC1CC2N
InChIInChI=1S/C8H16N2/c1-10-5-6-2-3-7(10)4-8(6)9/h6-8H,2-5,9H2,1H3
InChIKeyQZEUTDQHZMMSNS-UHFFFAOYSA-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 2-methyl-2-azabicyclo[2.2.2]octan-5-amine?
The IUPAC name of 2-methyl-2-azabicyclo[2.2.2]octan-5-amine (CID 14788283) is 2-methyl-2-azabicyclo[2.2.2]octan-5-amine.
What is the SMILES notation for 2-methyl-2-azabicyclo[2.2.2]octan-5-amine?
The canonical SMILES for 2-methyl-2-azabicyclo[2.2.2]octan-5-amine is CN1CC2CCC1CC2N.
What is the InChIKey of 2-methyl-2-azabicyclo[2.2.2]octan-5-amine?
The InChIKey is QZEUTDQHZMMSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-5-6-2-3-7(10)4-8(6)9/h6-8H,2-5,9H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[2.2.2]octan-5-amine?
2-methyl-2-azabicyclo[2.2.2]octan-5-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 2-methyl-2-azabicyclo[2.2.2]octan-5-amine is sourced from PubChem (CID 14788283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).