ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate

C16H29NO2 — CID 65050126

IUPACethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
SMILESCCOC(=O)CC1(N2CCCCCC2)CCCC1C
InChIInChI=1S/C16H29NO2/c1-3-19-15(18)13-16(10-8-9-14(16)2)17-11-6-4-5-7-12-17/h14H,3-13H2,1-2H3
InChIKeyDOJXAJSGAFZNHQ-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.37
Rot. Bonds4

About ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate

ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate (PubChem CID 65050126) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
PubChem CID65050126
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
SMILESCCOC(=O)CC1(N2CCCCCC2)CCCC1C
InChIInChI=1S/C16H29NO2/c1-3-19-15(18)13-16(10-8-9-14(16)2)17-11-6-4-5-7-12-17/h14H,3-13H2,1-2H3
InChIKeyDOJXAJSGAFZNHQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
CID 64755856
ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
CID 106664184
2-(2-methyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64527605
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
ethyl 2-[2-ethyl-1-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 65421000
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl 2-[2-methyl-3-(4-methylpiperazin-1-yl)thian-3-yl]acetate
CID 79951486
ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573
ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate
CID 106664180
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
CID 103565026

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate?
The IUPAC name of ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate (CID 65050126) is ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate?
The canonical SMILES for ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate is CCOC(=O)CC1(N2CCCCCC2)CCCC1C.
What is the InChIKey of ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate?
The InChIKey is DOJXAJSGAFZNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-19-15(18)13-16(10-8-9-14(16)2)17-11-6-4-5-7-12-17/h14H,3-13H2,1-2H3.
What are the key properties of ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate?
ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate has a molecular weight of 267.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate is sourced from PubChem (CID 65050126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).