ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate

C16H29NO2 — CID 64755856

IUPACethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
SMILESCCOC(=O)CC1(N2CCCC2)CC(C)CCC1C
InChIInChI=1S/C16H29NO2/c1-4-19-15(18)12-16(17-9-5-6-10-17)11-13(2)7-8-14(16)3/h13-14H,4-12H2,1-3H3
InChIKeyKARYIPPWJYPRDT-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate

ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate (PubChem CID 64755856) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
PubChem CID64755856
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
SMILESCCOC(=O)CC1(N2CCCC2)CC(C)CCC1C
InChIInChI=1S/C16H29NO2/c1-4-19-15(18)12-16(17-9-5-6-10-17)11-13(2)7-8-14(16)3/h13-14H,4-12H2,1-3H3
InChIKeyKARYIPPWJYPRDT-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
CID 65050126
ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
CID 106664184
ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate
CID 106664180
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
CID 103565026
ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421000
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
ethyl 2-[2-methyl-3-(4-methylpiperazin-1-yl)thian-3-yl]acetate
CID 79951486
[2,5-dimethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 64761949
ethyl 2-(1-amino-4-propylcyclohexyl)acetate
CID 79848370
ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate (CID 64755856) is ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate is CCOC(=O)CC1(N2CCCC2)CC(C)CCC1C.
What is the InChIKey of ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate?
The InChIKey is KARYIPPWJYPRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-19-15(18)12-16(17-9-5-6-10-17)11-13(2)7-8-14(16)3/h13-14H,4-12H2,1-3H3.
What are the key properties of ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate?
ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate has a molecular weight of 267.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate is sourced from PubChem (CID 64755856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).