3-methyl-1-azabicyclo[2.2.2]octan-3-amine

C8H16N2 — CID 55289838

IUPAC3-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1(N)CN2CCC1CC2
InChIInChI=1S/C8H16N2/c1-8(9)6-10-4-2-7(8)3-5-10/h7H,2-6,9H2,1H3
InChIKeyPLFBGAXIQJPOEX-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds

About 3-methyl-1-azabicyclo[2.2.2]octan-3-amine

3-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 55289838) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name3-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID55289838
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC1(N)CN2CCC1CC2
InChIInChI=1S/C8H16N2/c1-8(9)6-10-4-2-7(8)3-5-10/h7H,2-6,9H2,1H3
InChIKeyPLFBGAXIQJPOEX-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 3-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 3-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 55289838) is 3-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 3-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 3-methyl-1-azabicyclo[2.2.2]octan-3-amine is CC1(N)CN2CCC1CC2.
What is the InChIKey of 3-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is PLFBGAXIQJPOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(9)6-10-4-2-7(8)3-5-10/h7H,2-6,9H2,1H3.
What are the key properties of 3-methyl-1-azabicyclo[2.2.2]octan-3-amine?
3-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 3-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 55289838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).