ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride

C11H22ClNO2 — CID 23446038

IUPACethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
SMILESCCOC(=O)CC1(CN)CCCCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-14-10(13)8-11(9-12)6-4-3-5-7-11;/h2-9,12H2,1H3;1H
InChIKeyUHYCAUUDSWTCMI-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.27
Rot. Bonds4

About ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride

ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride (PubChem CID 23446038) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
PubChem CID23446038
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nameethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
SMILESCCOC(=O)CC1(CN)CCCCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-14-10(13)8-11(9-12)6-4-3-5-7-11;/h2-9,12H2,1H3;1H
InChIKeyUHYCAUUDSWTCMI-UHFFFAOYSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride (CID 23446038) is ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride is CCOC(=O)CC1(CN)CCCCC1.Cl.
What is the InChIKey of ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride?
The InChIKey is UHYCAUUDSWTCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-2-14-10(13)8-11(9-12)6-4-3-5-7-11;/h2-9,12H2,1H3;1H.
What are the key properties of ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride?
ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride is sourced from PubChem (CID 23446038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).