3-methylidene-9-azabicyclo[3.3.1]nonane

C9H15N — CID 139026286

IUPAC3-methylidene-9-azabicyclo[3.3.1]nonane
SMILESC=C1CC2CCCC(C1)N2
InChIInChI=1S/C9H15N/c1-7-5-8-3-2-4-9(6-7)10-8/h8-10H,1-6H2
InChIKeyHXMDHSGBGYCJAZ-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.85
Rot. Bonds

About 3-methylidene-9-azabicyclo[3.3.1]nonane

3-methylidene-9-azabicyclo[3.3.1]nonane (PubChem CID 139026286) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-methylidene-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methylidene-9-azabicyclo[3.3.1]nonane
PubChem CID139026286
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-methylidene-9-azabicyclo[3.3.1]nonane
SMILESC=C1CC2CCCC(C1)N2
InChIInChI=1S/C9H15N/c1-7-5-8-3-2-4-9(6-7)10-8/h8-10H,1-6H2
InChIKeyHXMDHSGBGYCJAZ-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
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-methylidene-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 3-methylidene-9-azabicyclo[3.3.1]nonane (CID 139026286) is 3-methylidene-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methylidene-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3-methylidene-9-azabicyclo[3.3.1]nonane is C=C1CC2CCCC(C1)N2.
What is the InChIKey of 3-methylidene-9-azabicyclo[3.3.1]nonane?
The InChIKey is HXMDHSGBGYCJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-5-8-3-2-4-9(6-7)10-8/h8-10H,1-6H2.
What are the key properties of 3-methylidene-9-azabicyclo[3.3.1]nonane?
3-methylidene-9-azabicyclo[3.3.1]nonane has a molecular weight of 137.23 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 139026286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).