3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene

C10H17N — CID 138582721

IUPAC3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCC1=CC2CCCC(C1)N2C
InChIInChI=1S/C10H17N/c1-8-6-9-4-3-5-10(7-8)11(9)2/h6,9-10H,3-5,7H2,1-2H3
InChIKeyJSRLBZRNKJMBEF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.19
Rot. Bonds

About 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene

3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 138582721) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID138582721
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCC1=CC2CCCC(C1)N2C
InChIInChI=1S/C10H17N/c1-8-6-9-4-3-5-10(7-8)11(9)2/h6,9-10H,3-5,7H2,1-2H3
InChIKeyJSRLBZRNKJMBEF-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene (CID 138582721) is 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene is CC1=CC2CCCC(C1)N2C.
What is the InChIKey of 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is JSRLBZRNKJMBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-9-4-3-5-10(7-8)11(9)2/h6,9-10H,3-5,7H2,1-2H3.
What are the key properties of 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene?
3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 151.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 138582721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).