1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane

C16H32N2 — CID 54977626

IUPAC1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane
SMILESCC1CCN(CCC2CCCCC2)CCC(C)N1
InChIInChI=1S/C16H32N2/c1-14-8-11-18(12-9-15(2)17-14)13-10-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyOWFIEMWWMFZLDC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds3

About 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane

1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane (PubChem CID 54977626) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane
PubChem CID54977626
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane
SMILESCC1CCN(CCC2CCCCC2)CCC(C)N1
InChIInChI=1S/C16H32N2/c1-14-8-11-18(12-9-15(2)17-14)13-10-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyOWFIEMWWMFZLDC-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane?
The IUPAC name of 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane (CID 54977626) is 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane?
The canonical SMILES for 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane is CC1CCN(CCC2CCCCC2)CCC(C)N1.
What is the InChIKey of 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane?
The InChIKey is OWFIEMWWMFZLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-8-11-18(12-9-15(2)17-14)13-10-16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane?
1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane is sourced from PubChem (CID 54977626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).