ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate

C17H33NO3 — CID 79646983

IUPACethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCCCC(CC)COC1CCC(NC)(C(=O)OCC)C1
InChIInChI=1S/C17H33NO3/c1-5-8-9-14(6-2)13-21-15-10-11-17(12-15,18-4)16(19)20-7-3/h14-15,18H,5-13H2,1-4H3
InChIKeyIDKGLZNWFJXVNB-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.29
Rot. Bonds10

About ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate

ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79646983) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79646983
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nameethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCCCC(CC)COC1CCC(NC)(C(=O)OCC)C1
InChIInChI=1S/C17H33NO3/c1-5-8-9-14(6-2)13-21-15-10-11-17(12-15,18-4)16(19)20-7-3/h14-15,18H,5-13H2,1-4H3
InChIKeyIDKGLZNWFJXVNB-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylhexoxy)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79638073
methyl 1-(ethylamino)-3-(2-ethylhexoxy)cyclopentane-1-carboxylate
CID 79646979
ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
CID 79646964
ethyl 3-(2-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 103284950
[3-(2-ethylhexoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640189
ethyl 1-(ethylamino)-3-hexoxycyclopentane-1-carboxylate
CID 79648423
ethyl 1-(cyclopropylamino)-3-pentoxycyclopentane-1-carboxylate
CID 79648395
ethyl 1-(methylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carboxylate
CID 79648432
3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
CID 79648653
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
CID 79649123
ethyl 2-ethylhexyl carbonate
CID 54194012

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate (CID 79646983) is ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate is CCCCC(CC)COC1CCC(NC)(C(=O)OCC)C1.
What is the InChIKey of ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is IDKGLZNWFJXVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-8-9-14(6-2)13-21-15-10-11-17(12-15,18-4)16(19)20-7-3/h14-15,18H,5-13H2,1-4H3.
What are the key properties of ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate?
ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 299.45 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethylhexoxy)-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79646983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).