ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate

C14H27NO2 — CID 63995099

IUPACethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC1CCC(C)CC1C
InChIInChI=1S/C14H27NO2/c1-5-17-14(16)12(4)9-15-13-7-6-10(2)8-11(13)3/h10-13,15H,5-9H2,1-4H3
InChIKeyLJIUQSYOHCXZCP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.60
Rot. Bonds5

About ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate

ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate (PubChem CID 63995099) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate
PubChem CID63995099
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC1CCC(C)CC1C
InChIInChI=1S/C14H27NO2/c1-5-17-14(16)12(4)9-15-13-7-6-10(2)8-11(13)3/h10-13,15H,5-9H2,1-4H3
InChIKeyLJIUQSYOHCXZCP-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[(1S)-1-cyclohexylethyl]amino]propanoate
CID 102474001
Ethyl 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64754073
Methyl 3-[[4-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64755062
Ethyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64757279
Ethyl 3-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64759028
Methyl 3-[[2-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64759887
Ethyl 3-(cyclohexylmethylamino)propanoate
CID 10375928
Methyl 3-(2-cyclohexylethylamino)propanoate
CID 21974235
Ethyl 3-(cyclohexylamino)-2-methylpropanoate
CID 57635080
Butyl 3-(2-ethylhexyl)aminopropanoate
CID 58898492
Ethyl 3-[(4-methylcyclohexyl)amino]butanoate
CID 61717414
Ethyl 2-[1-(cyclohexylamino)ethyl]-3-methylbutanoate
CID 66981002

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate (CID 63995099) is ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate is CCOC(=O)C(C)CNC1CCC(C)CC1C.
What is the InChIKey of ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate?
The InChIKey is LJIUQSYOHCXZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-17-14(16)12(4)9-15-13-7-6-10(2)8-11(13)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate?
ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate has a molecular weight of 241.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2,4-dimethylcyclohexyl)amino]-2-methylpropanoate is sourced from PubChem (CID 63995099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).