oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate

C15H27NO3 — CID 65240412

IUPACoxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OCC2CCOCC2)CCCCC1
InChIInChI=1S/C15H27NO3/c1-16-15(7-3-2-4-8-15)11-14(17)19-12-13-5-9-18-10-6-13/h13,16H,2-12H2,1H3
InChIKeyLTJSGPGAIWWQQU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.27
Rot. Bonds5

About oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate

oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate (PubChem CID 65240412) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameoxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
PubChem CID65240412
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameoxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OCC2CCOCC2)CCCCC1
InChIInChI=1S/C15H27NO3/c1-16-15(7-3-2-4-8-15)11-14(17)19-12-13-5-9-18-10-6-13/h13,16H,2-12H2,1H3
InChIKeyLTJSGPGAIWWQQU-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate?
The IUPAC name of oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate (CID 65240412) is oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate.
What is the SMILES notation for oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate?
The canonical SMILES for oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate is CNC1(CC(=O)OCC2CCOCC2)CCCCC1.
What is the InChIKey of oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate?
The InChIKey is LTJSGPGAIWWQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-16-15(7-3-2-4-8-15)11-14(17)19-12-13-5-9-18-10-6-13/h13,16H,2-12H2,1H3.
What are the key properties of oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate?
oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate is sourced from PubChem (CID 65240412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).