ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate

C16H29NO2 — CID 54892627

IUPACethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)CCCCCCC1
InChIInChI=1S/C16H29NO2/c1-2-19-15(18)16(17-14-10-6-7-11-14)12-8-4-3-5-9-13-16/h14,17H,2-13H2,1H3
InChIKeyJJJZZKJXJBVKME-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.56
Rot. Bonds4

About ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate

ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate (PubChem CID 54892627) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
PubChem CID54892627
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nameethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)CCCCCCC1
InChIInChI=1S/C16H29NO2/c1-2-19-15(18)16(17-14-10-6-7-11-14)12-8-4-3-5-9-13-16/h14,17H,2-13H2,1H3
InChIKeyJJJZZKJXJBVKME-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62389815
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CID 54892867
ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
CID 63524112
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 3-(cycloheptylamino)-5-methylthiolane-3-carboxylate
CID 79949178
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate
CID 79847585
ethyl 3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646486
ethyl 1-(cyclopropylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636428

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate (CID 54892627) is ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate is CCOC(=O)C1(NC2CCCC2)CCCCCCC1.
What is the InChIKey of ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate?
The InChIKey is JJJZZKJXJBVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-19-15(18)16(17-14-10-6-7-11-14)12-8-4-3-5-9-13-16/h14,17H,2-13H2,1H3.
What are the key properties of ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate?
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate is sourced from PubChem (CID 54892627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).