ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride

C11H22ClNO2 — CID 170913628

IUPACethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(CCN)CC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12;/h9-10H,2-8,12H2,1H3;1H
InChIKeyDWCSTQVBCHHBAL-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.13
Rot. Bonds4

About ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride

ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride (PubChem CID 170913628) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride
PubChem CID170913628
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nameethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(CCN)CC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12;/h9-10H,2-8,12H2,1H3;1H
InChIKeyDWCSTQVBCHHBAL-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174491802
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CID 126501888
ethyl 4-(methylaminomethyl)cyclohexane-1-carboxylate
CID 20757661
ethyl 4-(2-methylpropyl)cyclohexane-1-carboxylate
CID 148815962
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 4-(3-chloro-3-oxopropyl)cycloheptane-1-carboxylate
CID 137445547
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 4-[(4-ethylcyclohexyl)amino]cyclohexane-1-carboxylate
CID 60934435
butyl 4-(2-fluoroethyl)cyclohexane-1-carboxylate
CID 70829178

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride (CID 170913628) is ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1CCC(CCN)CC1.Cl.
What is the InChIKey of ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is DWCSTQVBCHHBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-2-14-11(13)10-5-3-9(4-6-10)7-8-12;/h9-10H,2-8,12H2,1H3;1H.
What are the key properties of ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride?
ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminoethyl)cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 170913628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).