3-methyl-8-azabicyclo[3.2.1]octane

C8H15N — CID 20659822

IUPAC3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2
InChIInChI=1S/C8H15N/c1-6-4-7-2-3-8(5-6)9-7/h6-9H,2-5H2,1H3
InChIKeyCPTOIRJUTARRLY-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.54
Rot. Bonds

About 3-methyl-8-azabicyclo[3.2.1]octane

3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 20659822) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID20659822
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3-methyl-8-azabicyclo[3.2.1]octane
SMILESCC1CC2CCC(C1)N2
InChIInChI=1S/C8H15N/c1-6-4-7-2-3-8(5-6)9-7/h6-9H,2-5H2,1H3
InChIKeyCPTOIRJUTARRLY-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-azabicyclo[3.2.1]octane (CID 20659822) is 3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-azabicyclo[3.2.1]octane is CC1CC2CCC(C1)N2.
What is the InChIKey of 3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is CPTOIRJUTARRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-4-7-2-3-8(5-6)9-7/h6-9H,2-5H2,1H3.
What are the key properties of 3-methyl-8-azabicyclo[3.2.1]octane?
3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 125.22 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20659822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).