ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate

C13H25NO2 — CID 65233937

IUPACethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
SMILESCCNC1(CC(=O)OCC)CCC(C)CC1
InChIInChI=1S/C13H25NO2/c1-4-14-13(10-12(15)16-5-2)8-6-11(3)7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyCDWMXAMNHJAELF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds5

About ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate

ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate (PubChem CID 65233937) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
PubChem CID65233937
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
SMILESCCNC1(CC(=O)OCC)CCC(C)CC1
InChIInChI=1S/C13H25NO2/c1-4-14-13(10-12(15)16-5-2)8-6-11(3)7-9-13/h11,14H,4-10H2,1-3H3
InChIKeyCDWMXAMNHJAELF-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate (CID 65233937) is ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate is CCNC1(CC(=O)OCC)CCC(C)CC1.
What is the InChIKey of ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate?
The InChIKey is CDWMXAMNHJAELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-14-13(10-12(15)16-5-2)8-6-11(3)7-9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate?
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate is sourced from PubChem (CID 65233937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).