1-methyl-3-azabicyclo[3.2.1]octane

C8H15N — CID 55286397

IUPAC1-methyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CNC1)C2
InChIInChI=1S/C8H15N/c1-8-3-2-7(4-8)5-9-6-8/h7,9H,2-6H2,1H3
InChIKeyUAJYYFYNOPJLJM-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.40
Rot. Bonds

About 1-methyl-3-azabicyclo[3.2.1]octane

1-methyl-3-azabicyclo[3.2.1]octane (PubChem CID 55286397) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 1-methyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-methyl-3-azabicyclo[3.2.1]octane
PubChem CID55286397
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name1-methyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CNC1)C2
InChIInChI=1S/C8H15N/c1-8-3-2-7(4-8)5-9-6-8/h7,9H,2-6H2,1H3
InChIKeyUAJYYFYNOPJLJM-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methylbicyclo[2.2.1]heptane
CID 164557496
1-propyl-3-azabicyclo[3.2.1]octane
CID 84763453
1-butyl-3-azabicyclo[3.2.1]octane
CID 84765341
1-(4-methylphenyl)-3-azabicyclo[3.2.1]octane
CID 84776453
1,3-dimethylbicyclo[4.2.1]nonane
CID 152820213
1-methylbicyclo[2.2.1]heptane diisocyanate
CID 18769286
1-methyl-2-azabicyclo[2.2.1]heptane;hydroiodide
CID 173152924
1-[(4-methylphenyl)methyl]-3-azabicyclo[3.2.1]octane
CID 84784252
(1R)-1-methylbicyclo[4.3.2]undecane
CID 177097651
ethyl (1R,5R)-3-azabicyclo[3.2.1]octane-1-carboxylate;hydrochloride
CID 166597682
(1S,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 23309189
1,5-dimethyl-3-azabicyclo[3.2.0]heptane
CID 23049848

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1-methyl-3-azabicyclo[3.2.1]octane (CID 55286397) is 1-methyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-methyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-methyl-3-azabicyclo[3.2.1]octane is CC12CCC(CNC1)C2.
What is the InChIKey of 1-methyl-3-azabicyclo[3.2.1]octane?
The InChIKey is UAJYYFYNOPJLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8-3-2-7(4-8)5-9-6-8/h7,9H,2-6H2,1H3.
What are the key properties of 1-methyl-3-azabicyclo[3.2.1]octane?
1-methyl-3-azabicyclo[3.2.1]octane has a molecular weight of 125.22 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 55286397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).