methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate

C15H27NO2 — CID 77101295

IUPACmethyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate
SMILESCCC(=CCN(CC)C1CCCCC1)C(=O)OC
InChIInChI=1S/C15H27NO2/c1-4-13(15(17)18-3)11-12-16(5-2)14-9-7-6-8-10-14/h11,14H,4-10,12H2,1-3H3
InChIKeyMELYFIPEEBVAII-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.15
Rot. Bonds6

About methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate

methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate (PubChem CID 77101295) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate
PubChem CID77101295
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate
SMILESCCC(=CCN(CC)C1CCCCC1)C(=O)OC
InChIInChI=1S/C15H27NO2/c1-4-13(15(17)18-3)11-12-16(5-2)14-9-7-6-8-10-14/h11,14H,4-10,12H2,1-3H3
InChIKeyMELYFIPEEBVAII-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[cycloheptyl(methyl)amino]-2-ethylbut-2-enoate
CID 77100982
methyl 4-cyclohexyloxy-2-ethylbut-2-enoate
CID 77100568
methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate
CID 77075285
methyl 2-ethyl-4-[(4-ethylcyclohexyl)-methylamino]but-2-enoate
CID 77102428
4-[cyclopentyl(2-hydroxyethyl)amino]-2-ethylbut-2-enoic acid
CID 77101656
methyl 4-(cycloheptylmethoxy)-2-ethylbut-2-enoate
CID 114247893
methyl 2-ethyl-4-[(1-ethylpiperidin-4-yl)-methylamino]but-2-enoate
CID 77100887
methyl 2-ethyl-4-[(2-hydroxycycloheptyl)amino]but-2-enoate
CID 103262928
4-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-ethylbut-2-enoic acid
CID 77100996
methyl (Z)-2-ethyl-4-(2-ethylazepan-1-yl)but-2-enoate
CID 113441794
methyl 4-(cyclopropylmethylamino)-2-ethylbut-2-enoate
CID 103231152
methyl 4-[cyclohexyl(methyl)amino]-2-methylbut-2-enoate
CID 77076301

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate?
The IUPAC name of methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate (CID 77101295) is methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate.
What is the SMILES notation for methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate?
The canonical SMILES for methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate is CCC(=CCN(CC)C1CCCCC1)C(=O)OC.
What is the InChIKey of methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate?
The InChIKey is MELYFIPEEBVAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-13(15(17)18-3)11-12-16(5-2)14-9-7-6-8-10-14/h11,14H,4-10,12H2,1-3H3.
What are the key properties of methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate?
methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate has a molecular weight of 253.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate is sourced from PubChem (CID 77101295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).