6-methyl-2-azabicyclo[3.2.2]nonane

C9H17N — CID 163899527

IUPAC6-methyl-2-azabicyclo[3.2.2]nonane
SMILESCC1CC2CCC1CCN2
InChIInChI=1S/C9H17N/c1-7-6-9-3-2-8(7)4-5-10-9/h7-10H,2-6H2,1H3
InChIKeyQIPILOKSUJXJJO-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds

About 6-methyl-2-azabicyclo[3.2.2]nonane

6-methyl-2-azabicyclo[3.2.2]nonane (PubChem CID 163899527) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-methyl-2-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6-methyl-2-azabicyclo[3.2.2]nonane
PubChem CID163899527
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-methyl-2-azabicyclo[3.2.2]nonane
SMILESCC1CC2CCC1CCN2
InChIInChI=1S/C9H17N/c1-7-6-9-3-2-8(7)4-5-10-9/h7-10H,2-6H2,1H3
InChIKeyQIPILOKSUJXJJO-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(1R,4R)-5-methyl-2-azabicyclo[2.2.1]heptane
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ethane;5-methyl-2-azabicyclo[2.2.1]heptane
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CID 140985387
6-prop-2-enyl-2-azabicyclo[3.3.1]nonane
CID 174423271
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624
6-phenyl-2-azabicyclo[3.3.1]nonane
CID 57485502
(3aR,7R,7aS)-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 124603442
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 70336035
3-methyl-2-azabicyclo[2.2.1]heptane
CID 20805027

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-azabicyclo[3.2.2]nonane?
The IUPAC name of 6-methyl-2-azabicyclo[3.2.2]nonane (CID 163899527) is 6-methyl-2-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 6-methyl-2-azabicyclo[3.2.2]nonane?
The canonical SMILES for 6-methyl-2-azabicyclo[3.2.2]nonane is CC1CC2CCC1CCN2.
What is the InChIKey of 6-methyl-2-azabicyclo[3.2.2]nonane?
The InChIKey is QIPILOKSUJXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-6-9-3-2-8(7)4-5-10-9/h7-10H,2-6H2,1H3.
What are the key properties of 6-methyl-2-azabicyclo[3.2.2]nonane?
6-methyl-2-azabicyclo[3.2.2]nonane has a molecular weight of 139.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 163899527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).