methyl 2-[1-(methylamino)cyclohexyl]acetate

C10H19NO2 — CID 65234883

IUPACmethyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OC)CCCCC1
InChIInChI=1S/C10H19NO2/c1-11-10(8-9(12)13-2)6-4-3-5-7-10/h11H,3-8H2,1-2H3
InChIKeyGISHYPUSHKZZDZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-[1-(methylamino)cyclohexyl]acetate

methyl 2-[1-(methylamino)cyclohexyl]acetate (PubChem CID 65234883) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-[1-(methylamino)cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(methylamino)cyclohexyl]acetate
PubChem CID65234883
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-[1-(methylamino)cyclohexyl]acetate
SMILESCNC1(CC(=O)OC)CCCCC1
InChIInChI=1S/C10H19NO2/c1-11-10(8-9(12)13-2)6-4-3-5-7-10/h11H,3-8H2,1-2H3
InChIKeyGISHYPUSHKZZDZ-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(methylamino)cyclohexyl]acetate?
The IUPAC name of methyl 2-[1-(methylamino)cyclohexyl]acetate (CID 65234883) is methyl 2-[1-(methylamino)cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-(methylamino)cyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-(methylamino)cyclohexyl]acetate is CNC1(CC(=O)OC)CCCCC1.
What is the InChIKey of methyl 2-[1-(methylamino)cyclohexyl]acetate?
The InChIKey is GISHYPUSHKZZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11-10(8-9(12)13-2)6-4-3-5-7-10/h11H,3-8H2,1-2H3.
What are the key properties of methyl 2-[1-(methylamino)cyclohexyl]acetate?
methyl 2-[1-(methylamino)cyclohexyl]acetate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(methylamino)cyclohexyl]acetate is sourced from PubChem (CID 65234883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).