ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate

C16H29NO2 — CID 64514272

IUPACethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCCC2)CCC(CC)C1
InChIInChI=1S/C16H29NO2/c1-3-13-10-11-16(12-13,15(18)19-4-2)17-14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3
InChIKeyFNLHXOXUPCRAEO-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.42
Rot. Bonds5

About ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate

ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate (PubChem CID 64514272) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
PubChem CID64514272
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCCC2)CCC(CC)C1
InChIInChI=1S/C16H29NO2/c1-3-13-10-11-16(12-13,15(18)19-4-2)17-14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3
InChIKeyFNLHXOXUPCRAEO-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
ethyl 3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646486
ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
CID 63524112
ethyl 4-(cyclopentylamino)oxane-4-carboxylate
CID 54892867
ethyl 3-(cycloheptylamino)-5-methylthiolane-3-carboxylate
CID 79949178
ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
CID 65075658
ethyl 1-(2-azidoethylamino)-3-ethylcyclopentane-1-carboxylate
CID 66190834
ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645150
ethyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513801
ethyl 1-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645147
ethyl 1-(cyclopropylamino)-3-pentoxycyclopentane-1-carboxylate
CID 79648395

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate (CID 64514272) is ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate is CCOC(=O)C1(NC2CCCCC2)CCC(CC)C1.
What is the InChIKey of ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate?
The InChIKey is FNLHXOXUPCRAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-13-10-11-16(12-13,15(18)19-4-2)17-14-8-6-5-7-9-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate?
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate is sourced from PubChem (CID 64514272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).