1-(2-cyclohexyloxyethyl)-1,5-diazocane

C14H28N2O — CID 63826545

IUPAC1-(2-cyclohexyloxyethyl)-1,5-diazocane
SMILESC1CCC(OCCN2CCCNCCC2)CC1
InChIInChI=1S/C14H28N2O/c1-2-6-14(7-3-1)17-13-12-16-10-4-8-15-9-5-11-16/h14-15H,1-13H2
InChIKeyINSGCCVXQWXPJI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-cyclohexyloxyethyl)-1,5-diazocane

1-(2-cyclohexyloxyethyl)-1,5-diazocane (PubChem CID 63826545) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethyl)-1,5-diazocane.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethyl)-1,5-diazocane
PubChem CID63826545
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2-cyclohexyloxyethyl)-1,5-diazocane
SMILESC1CCC(OCCN2CCCNCCC2)CC1
InChIInChI=1S/C14H28N2O/c1-2-6-14(7-3-1)17-13-12-16-10-4-8-15-9-5-11-16/h14-15H,1-13H2
InChIKeyINSGCCVXQWXPJI-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethyl)-1,5-diazocane?
The IUPAC name of 1-(2-cyclohexyloxyethyl)-1,5-diazocane (CID 63826545) is 1-(2-cyclohexyloxyethyl)-1,5-diazocane.
What is the SMILES notation for 1-(2-cyclohexyloxyethyl)-1,5-diazocane?
The canonical SMILES for 1-(2-cyclohexyloxyethyl)-1,5-diazocane is C1CCC(OCCN2CCCNCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexyloxyethyl)-1,5-diazocane?
The InChIKey is INSGCCVXQWXPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-6-14(7-3-1)17-13-12-16-10-4-8-15-9-5-11-16/h14-15H,1-13H2.
What are the key properties of 1-(2-cyclohexyloxyethyl)-1,5-diazocane?
1-(2-cyclohexyloxyethyl)-1,5-diazocane has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethyl)-1,5-diazocane is sourced from PubChem (CID 63826545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).