2-hexylidene-1-azabicyclo[2.2.2]octane

C13H23N — CID 66777631

IUPAC2-hexylidene-1-azabicyclo[2.2.2]octane
SMILESCCCCCC=C1CC2CCN1CC2
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-13-11-12-7-9-14(13)10-8-12/h6,12H,2-5,7-11H2,1H3
InChIKeyGKKBPNWTXKYGBP-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.57
Rot. Bonds4

About 2-hexylidene-1-azabicyclo[2.2.2]octane

2-hexylidene-1-azabicyclo[2.2.2]octane (PubChem CID 66777631) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-hexylidene-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-hexylidene-1-azabicyclo[2.2.2]octane
PubChem CID66777631
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-hexylidene-1-azabicyclo[2.2.2]octane
SMILESCCCCCC=C1CC2CCN1CC2
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-13-11-12-7-9-14(13)10-8-12/h6,12H,2-5,7-11H2,1H3
InChIKeyGKKBPNWTXKYGBP-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexylidene-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-hexylidene-1-azabicyclo[2.2.2]octane (CID 66777631) is 2-hexylidene-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-hexylidene-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-hexylidene-1-azabicyclo[2.2.2]octane is CCCCCC=C1CC2CCN1CC2.
What is the InChIKey of 2-hexylidene-1-azabicyclo[2.2.2]octane?
The InChIKey is GKKBPNWTXKYGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-4-5-6-13-11-12-7-9-14(13)10-8-12/h6,12H,2-5,7-11H2,1H3.
What are the key properties of 2-hexylidene-1-azabicyclo[2.2.2]octane?
2-hexylidene-1-azabicyclo[2.2.2]octane has a molecular weight of 193.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylidene-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 66777631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).