ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate

C14H25NO2 — CID 65236795

IUPACethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC)CCCC(C2CC2)C1
InChIInChI=1S/C14H25NO2/c1-3-17-13(16)10-14(15-2)8-4-5-12(9-14)11-6-7-11/h11-12,15H,3-10H2,1-2H3
InChIKeyXBNBTIAAFPYVDK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds5

About ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate

ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate (PubChem CID 65236795) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
PubChem CID65236795
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC)CCCC(C2CC2)C1
InChIInChI=1S/C14H25NO2/c1-3-17-13(16)10-14(15-2)8-4-5-12(9-14)11-6-7-11/h11-12,15H,3-10H2,1-2H3
InChIKeyXBNBTIAAFPYVDK-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-cyclopropyl-1-(dimethylamino)cyclohexyl]acetate
CID 64624874
ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733
ethyl 2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236956
ethyl 2-[1-cyclopropyl-3-(methylamino)pyrrolidin-3-yl]acetate
CID 65236737
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
CID 65233937
cyclohexyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240602
oxan-4-ylmethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240412
ethyl 2-[4,4-dimethyl-1-(propylamino)cycloheptyl]acetate
CID 65235940
2-propoxyethyl 2-[1-(methylamino)cyclohexyl]acetate
CID 65240459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate (CID 65236795) is ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate is CCOC(=O)CC1(NC)CCCC(C2CC2)C1.
What is the InChIKey of ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate?
The InChIKey is XBNBTIAAFPYVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-17-13(16)10-14(15-2)8-4-5-12(9-14)11-6-7-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate?
ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate has a molecular weight of 239.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyclopropyl-1-(methylamino)cyclohexyl]acetate is sourced from PubChem (CID 65236795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).