ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate

C15H29NO2 — CID 115128935

IUPACethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N(C)CCC1CCCCC1
InChIInChI=1S/C15H29NO2/c1-5-18-14(17)15(2,3)16(4)12-11-13-9-7-6-8-10-13/h13H,5-12H2,1-4H3
InChIKeyXBGJBLRBMSMXCJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds6

About ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate

ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate (PubChem CID 115128935) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate
PubChem CID115128935
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)N(C)CCC1CCCCC1
InChIInChI=1S/C15H29NO2/c1-5-18-14(17)15(2,3)16(4)12-11-13-9-7-6-8-10-13/h13H,5-12H2,1-4H3
InChIKeyXBGJBLRBMSMXCJ-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate
CID 115128915
ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719
4-[2-cyclohexylethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165295
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
4-amino-N-(2-cyclohexylethyl)-N,4-dimethylpentanamide
CID 115157638
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314
3-[2-cyclohexylethyl(methyl)amino]-3-methylbutan-1-ol
CID 115134352
ethyl 3-(cyclohexylmethoxy)-2-methyl-2-(propan-2-ylamino)propanoate
CID 62384132
diethyl 3-(cyclohexylmethyl)-2-ethyl-2-methylbutanedioate
CID 22241944
2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate (CID 115128935) is ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate is CCOC(=O)C(C)(C)N(C)CCC1CCCCC1.
What is the InChIKey of ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate?
The InChIKey is XBGJBLRBMSMXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-18-14(17)15(2,3)16(4)12-11-13-9-7-6-8-10-13/h13H,5-12H2,1-4H3.
What are the key properties of ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate?
ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate has a molecular weight of 255.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-cyclohexylethyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 115128935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).