1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

C10H19N — CID 536556

IUPAC1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CNC1)C2(C)C
InChIInChI=1S/C10H19N/c1-9(2)8-4-5-10(9,3)7-11-6-8/h8,11H,4-7H2,1-3H3
InChIKeyCHRAJVQLWOMYQI-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds

About 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (PubChem CID 536556) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
PubChem CID536556
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CNC1)C2(C)C
InChIInChI=1S/C10H19N/c1-9(2)8-4-5-10(9,3)7-11-6-8/h8,11H,4-7H2,1-3H3
InChIKeyCHRAJVQLWOMYQI-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (CID 536556) is 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is CC12CCC(CNC1)C2(C)C.
What is the InChIKey of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The InChIKey is CHRAJVQLWOMYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)8-4-5-10(9,3)7-11-6-8/h8,11H,4-7H2,1-3H3.
What are the key properties of 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
1,8,8-trimethyl-3-azabicyclo[3.2.1]octane has a molecular weight of 153.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 536556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).