ethyl 2-[1-(propylamino)cyclohexyl]acetate

C13H25NO2 — CID 65235367

IUPACethyl 2-[1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OCC)CCCCC1
InChIInChI=1S/C13H25NO2/c1-3-10-14-13(8-6-5-7-9-13)11-12(15)16-4-2/h14H,3-11H2,1-2H3
InChIKeyPOCXFNRXFBNXKH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds6

About ethyl 2-[1-(propylamino)cyclohexyl]acetate

ethyl 2-[1-(propylamino)cyclohexyl]acetate (PubChem CID 65235367) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-[1-(propylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(propylamino)cyclohexyl]acetate
PubChem CID65235367
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-[1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OCC)CCCCC1
InChIInChI=1S/C13H25NO2/c1-3-10-14-13(8-6-5-7-9-13)11-12(15)16-4-2/h14H,3-11H2,1-2H3
InChIKeyPOCXFNRXFBNXKH-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(propylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-(propylamino)cyclohexyl]acetate (CID 65235367) is ethyl 2-[1-(propylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-(propylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-(propylamino)cyclohexyl]acetate is CCCNC1(CC(=O)OCC)CCCCC1.
What is the InChIKey of ethyl 2-[1-(propylamino)cyclohexyl]acetate?
The InChIKey is POCXFNRXFBNXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-10-14-13(8-6-5-7-9-13)11-12(15)16-4-2/h14H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[1-(propylamino)cyclohexyl]acetate?
ethyl 2-[1-(propylamino)cyclohexyl]acetate has a molecular weight of 227.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(propylamino)cyclohexyl]acetate is sourced from PubChem (CID 65235367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).