8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

C14H24N2 — CID 20524111

IUPAC8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCCCCCCN1C2CCC1CC(C#N)C2
InChIInChI=1S/C14H24N2/c1-2-3-4-5-8-16-13-6-7-14(16)10-12(9-13)11-15/h12-14H,2-10H2,1H3
InChIKeyLAXSPYKJTFRDRP-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.33
Rot. Bonds5

About 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (PubChem CID 20524111) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.

Molecular Properties

Compound Name8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
PubChem CID20524111
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCCCCCCN1C2CCC1CC(C#N)C2
InChIInChI=1S/C14H24N2/c1-2-3-4-5-8-16-13-6-7-14(16)10-12(9-13)11-15/h12-14H,2-10H2,1H3
InChIKeyLAXSPYKJTFRDRP-UHFFFAOYSA-N
XLogP3.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The IUPAC name of 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (CID 20524111) is 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.
What is the SMILES notation for 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The canonical SMILES for 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is CCCCCCN1C2CCC1CC(C#N)C2.
What is the InChIKey of 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The InChIKey is LAXSPYKJTFRDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-3-4-5-8-16-13-6-7-14(16)10-12(9-13)11-15/h12-14H,2-10H2,1H3.
What are the key properties of 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is sourced from PubChem (CID 20524111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).