1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane

C16H32N2O — CID 63827412

IUPAC1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane
SMILESCC1CNCC(C)CN(CCOC2CCCCC2)C1
InChIInChI=1S/C16H32N2O/c1-14-10-17-11-15(2)13-18(12-14)8-9-19-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyHBKZXHBDEYMCHJ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds4

About 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane

1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane (PubChem CID 63827412) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane
PubChem CID63827412
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane
SMILESCC1CNCC(C)CN(CCOC2CCCCC2)C1
InChIInChI=1S/C16H32N2O/c1-14-10-17-11-15(2)13-18(12-14)8-9-19-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyHBKZXHBDEYMCHJ-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane?
The IUPAC name of 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane (CID 63827412) is 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane?
The canonical SMILES for 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane is CC1CNCC(C)CN(CCOC2CCCCC2)C1.
What is the InChIKey of 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane?
The InChIKey is HBKZXHBDEYMCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14-10-17-11-15(2)13-18(12-14)8-9-19-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane?
1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane has a molecular weight of 268.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethyl)-3,7-dimethyl-1,5-diazocane is sourced from PubChem (CID 63827412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).