2-methyl-2-azabicyclo[3.3.1]nonane

C9H17N — CID 10130000

IUPAC2-methyl-2-azabicyclo[3.3.1]nonane
SMILESCN1CCC2CCCC1C2
InChIInChI=1S/C9H17N/c1-10-6-5-8-3-2-4-9(10)7-8/h8-9H,2-7H2,1H3
InChIKeyCWFVAJKBHCOSII-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About 2-methyl-2-azabicyclo[3.3.1]nonane

2-methyl-2-azabicyclo[3.3.1]nonane (PubChem CID 10130000) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[3.3.1]nonane
PubChem CID10130000
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-2-azabicyclo[3.3.1]nonane
SMILESCN1CCC2CCCC1C2
InChIInChI=1S/C9H17N/c1-10-6-5-8-3-2-4-9(10)7-8/h8-9H,2-7H2,1H3
InChIKeyCWFVAJKBHCOSII-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 2-methyl-2-azabicyclo[3.3.1]nonane (CID 10130000) is 2-methyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 2-methyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 2-methyl-2-azabicyclo[3.3.1]nonane is CN1CCC2CCCC1C2.
What is the InChIKey of 2-methyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is CWFVAJKBHCOSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-10-6-5-8-3-2-4-9(10)7-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[3.3.1]nonane?
2-methyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 10130000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).