3-methyl-3-azabicyclo[3.2.2]nonane

C9H17N — CID 14522

IUPAC3-methyl-3-azabicyclo[3.2.2]nonane
SMILESCN1CC2CCC(CC2)C1
InChIInChI=1S/C9H17N/c1-10-6-8-2-3-9(7-10)5-4-8/h8-9H,2-7H2,1H3
InChIKeyVYMQLQVLMDEDRO-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.74
Rot. Bonds

About 3-methyl-3-azabicyclo[3.2.2]nonane

3-methyl-3-azabicyclo[3.2.2]nonane (PubChem CID 14522) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.2.2]nonane
PubChem CID14522
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-methyl-3-azabicyclo[3.2.2]nonane
SMILESCN1CC2CCC(CC2)C1
InChIInChI=1S/C9H17N/c1-10-6-8-2-3-9(7-10)5-4-8/h8-9H,2-7H2,1H3
InChIKeyVYMQLQVLMDEDRO-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[3.2.2]nonane?
The IUPAC name of 3-methyl-3-azabicyclo[3.2.2]nonane (CID 14522) is 3-methyl-3-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.2.2]nonane?
The canonical SMILES for 3-methyl-3-azabicyclo[3.2.2]nonane is CN1CC2CCC(CC2)C1.
What is the InChIKey of 3-methyl-3-azabicyclo[3.2.2]nonane?
The InChIKey is VYMQLQVLMDEDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10-6-8-2-3-9(7-10)5-4-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-methyl-3-azabicyclo[3.2.2]nonane?
3-methyl-3-azabicyclo[3.2.2]nonane has a molecular weight of 139.24 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 14522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).