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

C10H20ClNO2 — CID 155943835

IUPACmethyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride
SMILESCNC1(CC(=O)OC)CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-11-10(8-9(12)13-2)6-4-3-5-7-10;/h11H,3-8H2,1-2H3;1H
InChIKeySCFZOKPVEYNHRE-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.89
Rot. Bonds3

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

methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride (PubChem CID 155943835) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride
PubChem CID155943835
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride
SMILESCNC1(CC(=O)OC)CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-11-10(8-9(12)13-2)6-4-3-5-7-10;/h11H,3-8H2,1-2H3;1H
InChIKeySCFZOKPVEYNHRE-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.89
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;hydrochloride?
The IUPAC name of methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride (CID 155943835) is methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride is CNC1(CC(=O)OC)CCCCC1.Cl.
What is the InChIKey of methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride?
The InChIKey is SCFZOKPVEYNHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-11-10(8-9(12)13-2)6-4-3-5-7-10;/h11H,3-8H2,1-2H3;1H.
What are the key properties of methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride?
methyl 2-[1-(methylamino)cyclohexyl]acetate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.89, 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;hydrochloride is sourced from PubChem (CID 155943835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).