3-cyclooctyl-2,3-dimethyl-1,5-diazocane

C16H32N2 — CID 67653262

IUPAC3-cyclooctyl-2,3-dimethyl-1,5-diazocane
SMILESCC1NCCCNCC1(C)C1CCCCCCC1
InChIInChI=1S/C16H32N2/c1-14-16(2,13-17-11-8-12-18-14)15-9-6-4-3-5-7-10-15/h14-15,17-18H,3-13H2,1-2H3
InChIKeyLBIPOVZLJDXSER-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.32
Rot. Bonds1

About 3-cyclooctyl-2,3-dimethyl-1,5-diazocane

3-cyclooctyl-2,3-dimethyl-1,5-diazocane (PubChem CID 67653262) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-cyclooctyl-2,3-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name3-cyclooctyl-2,3-dimethyl-1,5-diazocane
PubChem CID67653262
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-cyclooctyl-2,3-dimethyl-1,5-diazocane
SMILESCC1NCCCNCC1(C)C1CCCCCCC1
InChIInChI=1S/C16H32N2/c1-14-16(2,13-17-11-8-12-18-14)15-9-6-4-3-5-7-10-15/h14-15,17-18H,3-13H2,1-2H3
InChIKeyLBIPOVZLJDXSER-UHFFFAOYSA-N
XLogP3.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-2,3-dimethyl-1,5-diazocane?
The IUPAC name of 3-cyclooctyl-2,3-dimethyl-1,5-diazocane (CID 67653262) is 3-cyclooctyl-2,3-dimethyl-1,5-diazocane.
What is the SMILES notation for 3-cyclooctyl-2,3-dimethyl-1,5-diazocane?
The canonical SMILES for 3-cyclooctyl-2,3-dimethyl-1,5-diazocane is CC1NCCCNCC1(C)C1CCCCCCC1.
What is the InChIKey of 3-cyclooctyl-2,3-dimethyl-1,5-diazocane?
The InChIKey is LBIPOVZLJDXSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-16(2,13-17-11-8-12-18-14)15-9-6-4-3-5-7-10-15/h14-15,17-18H,3-13H2,1-2H3.
What are the key properties of 3-cyclooctyl-2,3-dimethyl-1,5-diazocane?
3-cyclooctyl-2,3-dimethyl-1,5-diazocane has a molecular weight of 252.45 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-2,3-dimethyl-1,5-diazocane is sourced from PubChem (CID 67653262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).