8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine

C15H25N — CID 67389294

IUPAC8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine
SMILESC1=C(C2=N/CCCCCC/2)\CCCCCC/1
InChIInChI=1S/C15H25N/c1-2-6-10-14(11-7-3-1)15-12-8-4-5-9-13-16-15/h10H,1-9,11-13H2/b14-10+,16-15+
InChIKeyLBUUCCPITQFJRG-MQIHADEYSA-N
MW219.37 g/mol
LogP4.67
Rot. Bonds1

About 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine

8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine (PubChem CID 67389294) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine.

Molecular Properties

Compound Name8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine
PubChem CID67389294
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine
SMILESC1=C(C2=N/CCCCCC/2)\CCCCCC/1
InChIInChI=1S/C15H25N/c1-2-6-10-14(11-7-3-1)15-12-8-4-5-9-13-16-15/h10H,1-9,11-13H2/b14-10+,16-15+
InChIKeyLBUUCCPITQFJRG-MQIHADEYSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine?
The IUPAC name of 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine (CID 67389294) is 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine.
What is the SMILES notation for 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine?
The canonical SMILES for 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine is C1=C(C2=N/CCCCCC/2)\CCCCCC/1.
What is the InChIKey of 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine?
The InChIKey is LBUUCCPITQFJRG-MQIHADEYSA-N. The full InChI is InChI=1S/C15H25N/c1-2-6-10-14(11-7-3-1)15-12-8-4-5-9-13-16-15/h10H,1-9,11-13H2/b14-10+,16-15+.
What are the key properties of 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine?
8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine has a molecular weight of 219.37 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine is sourced from PubChem (CID 67389294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).