9-methyl-9-azabicyclo[4.2.1]nonane

C9H17N — CID 565946

IUPAC9-methyl-9-azabicyclo[4.2.1]nonane
SMILESCN1C2CCCCC1CC2
InChIInChI=1S/C9H17N/c1-10-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3
InChIKeyQIZXIOOEJHJIAS-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.02
Rot. Bonds

About 9-methyl-9-azabicyclo[4.2.1]nonane

9-methyl-9-azabicyclo[4.2.1]nonane (PubChem CID 565946) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 9-methyl-9-azabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-methyl-9-azabicyclo[4.2.1]nonane
PubChem CID565946
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name9-methyl-9-azabicyclo[4.2.1]nonane
SMILESCN1C2CCCCC1CC2
InChIInChI=1S/C9H17N/c1-10-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3
InChIKeyQIZXIOOEJHJIAS-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-azabicyclo[4.2.1]nonane?
The IUPAC name of 9-methyl-9-azabicyclo[4.2.1]nonane (CID 565946) is 9-methyl-9-azabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-methyl-9-azabicyclo[4.2.1]nonane?
The canonical SMILES for 9-methyl-9-azabicyclo[4.2.1]nonane is CN1C2CCCCC1CC2.
What is the InChIKey of 9-methyl-9-azabicyclo[4.2.1]nonane?
The InChIKey is QIZXIOOEJHJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10-8-4-2-3-5-9(10)7-6-8/h8-9H,2-7H2,1H3.
What are the key properties of 9-methyl-9-azabicyclo[4.2.1]nonane?
9-methyl-9-azabicyclo[4.2.1]nonane has a molecular weight of 139.24 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-azabicyclo[4.2.1]nonane is sourced from PubChem (CID 565946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).