ethyl 2-(cyclopentylamino)adamantane-2-carboxylate

C18H29NO2 — CID 62772538

IUPACethyl 2-(cyclopentylamino)adamantane-2-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO2/c1-2-21-17(20)18(19-16-5-3-4-6-16)14-8-12-7-13(10-14)11-15(18)9-12/h12-16,19H,2-11H2,1H3
InChIKeyOIYIORCRNNAZDE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.28
Rot. Bonds4

About ethyl 2-(cyclopentylamino)adamantane-2-carboxylate

ethyl 2-(cyclopentylamino)adamantane-2-carboxylate (PubChem CID 62772538) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethyl 2-(cyclopentylamino)adamantane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopentylamino)adamantane-2-carboxylate
PubChem CID62772538
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethyl 2-(cyclopentylamino)adamantane-2-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO2/c1-2-21-17(20)18(19-16-5-3-4-6-16)14-8-12-7-13(10-14)11-15(18)9-12/h12-16,19H,2-11H2,1H3
InChIKeyOIYIORCRNNAZDE-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopropylamino)adamantane-2-carboxylate
CID 62780818
ethyl 2-(methylamino)adamantane-2-carboxylate
CID 62778952
ethyl 2-(prop-2-enylamino)adamantane-2-carboxylate
CID 62773313
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
ethyl 1-(cyclopentylamino)cyclooctane-1-carboxylate
CID 54892627
2-(cyclopropylamino)adamantane-2-carboxamide
CID 62778788
2-(cyclopropylamino)adamantane-2-carboxylic acid
CID 62778949
ethyl 4-(cyclopentylamino)oxane-4-carboxylate
CID 54892867
ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
CID 63524112
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 3-(cycloheptylamino)-5-methylthiolane-3-carboxylate
CID 79949178
ethyl 1-(cyclopropylamino)-2,2-dimethylcyclohexane-1-carboxylate
CID 79847585

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentylamino)adamantane-2-carboxylate?
The IUPAC name of ethyl 2-(cyclopentylamino)adamantane-2-carboxylate (CID 62772538) is ethyl 2-(cyclopentylamino)adamantane-2-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopentylamino)adamantane-2-carboxylate?
The canonical SMILES for ethyl 2-(cyclopentylamino)adamantane-2-carboxylate is CCOC(=O)C1(NC2CCCC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of ethyl 2-(cyclopentylamino)adamantane-2-carboxylate?
The InChIKey is OIYIORCRNNAZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-21-17(20)18(19-16-5-3-4-6-16)14-8-12-7-13(10-14)11-15(18)9-12/h12-16,19H,2-11H2,1H3.
What are the key properties of ethyl 2-(cyclopentylamino)adamantane-2-carboxylate?
ethyl 2-(cyclopentylamino)adamantane-2-carboxylate has a molecular weight of 291.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentylamino)adamantane-2-carboxylate is sourced from PubChem (CID 62772538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).