ethyl 2-[4-(aminomethyl)cyclohexyl]acetate

C11H21NO2 — CID 70333182

IUPACethyl 2-[4-(aminomethyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h9-10H,2-8,12H2,1H3
InChIKeyMCWZXYWZKDMLQT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds4

About ethyl 2-[4-(aminomethyl)cyclohexyl]acetate

ethyl 2-[4-(aminomethyl)cyclohexyl]acetate (PubChem CID 70333182) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-[4-(aminomethyl)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(aminomethyl)cyclohexyl]acetate
PubChem CID70333182
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-[4-(aminomethyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h9-10H,2-8,12H2,1H3
InChIKeyMCWZXYWZKDMLQT-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
carboxy-[4-(2-ethoxy-2-oxoethyl)cyclohexyl]azanide;rubidium(1+)
CID 145109269
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-(1-methanidylpiperidin-1-ium-4-yl)acetate
CID 59130933
ethyl acetate;ethyl 2-cyclohexylacetate
CID 66912131
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
ethyl 2-[4-[methyl(propanoyl)amino]cyclohexyl]acetate
CID 121438943
ethyl 2-[4-[(R)-amino(cyano)methyl]cyclohexyl]acetate
CID 125472006
ethyl 2-[4-[bis(2-hydroxyethyl)amino]cyclohexyl]acetate
CID 12636193

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(aminomethyl)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-(aminomethyl)cyclohexyl]acetate (CID 70333182) is ethyl 2-[4-(aminomethyl)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-(aminomethyl)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-(aminomethyl)cyclohexyl]acetate is CCOC(=O)CC1CCC(CN)CC1.
What is the InChIKey of ethyl 2-[4-(aminomethyl)cyclohexyl]acetate?
The InChIKey is MCWZXYWZKDMLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h9-10H,2-8,12H2,1H3.
What are the key properties of ethyl 2-[4-(aminomethyl)cyclohexyl]acetate?
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(aminomethyl)cyclohexyl]acetate is sourced from PubChem (CID 70333182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).