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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Related Compounds

1-(2-cyclopropyloxolan-3-yl)-3-propyl-1,4-diazepane
CID 114120371
4-ethyl-1-(3-methylcyclopentyl)-1,5-diazocane
CID 114550969
5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-1,4-diazepane
CID 64914058
3-(5-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 54973083
3-(3-ethyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 64944868
4-ethyl-6-methyl-1-(2-methyloxolan-3-yl)-1,5-diazocane
CID 82736075
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
4-ethyl-1-[1-(trifluoromethyl)cyclopropyl]-1,5-diazocane
CID 114159476
4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316210
2-ethylpiperidine;hydrobromide
CID 131717239
4-ethyl-1-(4-fluorophenyl)-1,5-diazocane
CID 54973042
5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane
CID 114115320

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).