4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane

C14H28N2O — CID 82736075

IUPAC4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane
SMILESCCC1CCN(C2CCOC2C)CCC(C)N1
InChIInChI=1S/C14H28N2O/c1-4-13-6-9-16(8-5-11(2)15-13)14-7-10-17-12(14)3/h11-15H,4-10H2,1-3H3
InChIKeyOEAIEHRKIPXMSX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds2

About 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane

4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane (PubChem CID 82736075) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane.

Molecular Properties

Compound Name4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane
PubChem CID82736075
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane
SMILESCCC1CCN(C2CCOC2C)CCC(C)N1
InChIInChI=1S/C14H28N2O/c1-4-13-6-9-16(8-5-11(2)15-13)14-7-10-17-12(14)3/h11-15H,4-10H2,1-3H3
InChIKeyOEAIEHRKIPXMSX-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane?
The IUPAC name of 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane (CID 82736075) is 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane.
What is the SMILES notation for 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane?
The canonical SMILES for 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane is CCC1CCN(C2CCOC2C)CCC(C)N1.
What is the InChIKey of 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane?
The InChIKey is OEAIEHRKIPXMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-13-6-9-16(8-5-11(2)15-13)14-7-10-17-12(14)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane?
4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane has a molecular weight of 240.39 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane is sourced from PubChem (CID 82736075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).