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

C17H33NO2 — CID 65235828

IUPACethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OCC)CCCCC1C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-6-12-18-17(13-15(19)20-7-2)11-9-8-10-14(17)16(3,4)5/h14,18H,6-13H2,1-5H3
InChIKeyGRSUDMOPNMJSIT-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.91
Rot. Bonds6

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

ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate (PubChem CID 65235828) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate
PubChem CID65235828
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate
SMILESCCCNC1(CC(=O)OCC)CCCCC1C(C)(C)C
InChIInChI=1S/C17H33NO2/c1-6-12-18-17(13-15(19)20-7-2)11-9-8-10-14(17)16(3,4)5/h14,18H,6-13H2,1-5H3
InChIKeyGRSUDMOPNMJSIT-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate (CID 65235828) is ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate is CCCNC1(CC(=O)OCC)CCCCC1C(C)(C)C.
What is the InChIKey of ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate?
The InChIKey is GRSUDMOPNMJSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-12-18-17(13-15(19)20-7-2)11-9-8-10-14(17)16(3,4)5/h14,18H,6-13H2,1-5H3.
What are the key properties of ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate?
ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate has a molecular weight of 283.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-tert-butyl-1-(propylamino)cyclohexyl]acetate is sourced from PubChem (CID 65235828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).