2-cyclooctylazocane

C15H29N — CID 19706164

IUPAC2-cyclooctylazocane
SMILESC1CCCC(C2CCCCCCN2)CCC1
InChIInChI=1S/C15H29N/c1-2-6-10-14(11-7-3-1)15-12-8-4-5-9-13-16-15/h14-16H,1-13H2
InChIKeyFVHVJARLLUJUTI-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.27
Rot. Bonds1

About 2-cyclooctylazocane

2-cyclooctylazocane (PubChem CID 19706164) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-cyclooctylazocane.

Molecular Properties

Compound Name2-cyclooctylazocane
PubChem CID19706164
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-cyclooctylazocane
SMILESC1CCCC(C2CCCCCCN2)CCC1
InChIInChI=1S/C15H29N/c1-2-6-10-14(11-7-3-1)15-12-8-4-5-9-13-16-15/h14-16H,1-13H2
InChIKeyFVHVJARLLUJUTI-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctylazocane?
The IUPAC name of 2-cyclooctylazocane (CID 19706164) is 2-cyclooctylazocane.
What is the SMILES notation for 2-cyclooctylazocane?
The canonical SMILES for 2-cyclooctylazocane is C1CCCC(C2CCCCCCN2)CCC1.
What is the InChIKey of 2-cyclooctylazocane?
The InChIKey is FVHVJARLLUJUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-2-6-10-14(11-7-3-1)15-12-8-4-5-9-13-16-15/h14-16H,1-13H2.
What are the key properties of 2-cyclooctylazocane?
2-cyclooctylazocane has a molecular weight of 223.40 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctylazocane is sourced from PubChem (CID 19706164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).