1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane

C15H28N2O — CID 114120161

IUPAC1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane
SMILESCCC1CCN(C2CCOC2C2CC2)CCCN1
InChIInChI=1S/C15H28N2O/c1-2-13-6-10-17(9-3-8-16-13)14-7-11-18-15(14)12-4-5-12/h12-16H,2-11H2,1H3
InChIKeyZWPDJQNTKOXPLD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds3

About 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane

1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane (PubChem CID 114120161) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane.

Molecular Properties

Compound Name1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane
PubChem CID114120161
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane
SMILESCCC1CCN(C2CCOC2C2CC2)CCCN1
InChIInChI=1S/C15H28N2O/c1-2-13-6-10-17(9-3-8-16-13)14-7-11-18-15(14)12-4-5-12/h12-16H,2-11H2,1H3
InChIKeyZWPDJQNTKOXPLD-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
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-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane?
The IUPAC name of 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane (CID 114120161) is 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane.
What is the SMILES notation for 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane?
The canonical SMILES for 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane is CCC1CCN(C2CCOC2C2CC2)CCCN1.
What is the InChIKey of 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane?
The InChIKey is ZWPDJQNTKOXPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-13-6-10-17(9-3-8-16-13)14-7-11-18-15(14)12-4-5-12/h12-16H,2-11H2,1H3.
What are the key properties of 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane?
1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane has a molecular weight of 252.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxolan-3-yl)-4-ethyl-1,5-diazocane is sourced from PubChem (CID 114120161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).