1,3,3-trimethyl-2-azabicyclo[2.2.2]octane

C10H19N — CID 11040898

IUPAC1,3,3-trimethyl-2-azabicyclo[2.2.2]octane
SMILESCC12CCC(CC1)C(C)(C)N2
InChIInChI=1S/C10H19N/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8,11H,4-7H2,1-3H3
InChIKeyIPGLGVMNTGDAHM-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds

About 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane

1,3,3-trimethyl-2-azabicyclo[2.2.2]octane (PubChem CID 11040898) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1,3,3-trimethyl-2-azabicyclo[2.2.2]octane
PubChem CID11040898
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1,3,3-trimethyl-2-azabicyclo[2.2.2]octane
SMILESCC12CCC(CC1)C(C)(C)N2
InChIInChI=1S/C10H19N/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8,11H,4-7H2,1-3H3
InChIKeyIPGLGVMNTGDAHM-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane (CID 11040898) is 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane is CC12CCC(CC1)C(C)(C)N2.
What is the InChIKey of 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane?
The InChIKey is IPGLGVMNTGDAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8,11H,4-7H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane?
1,3,3-trimethyl-2-azabicyclo[2.2.2]octane has a molecular weight of 153.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 11040898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).