ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate

C18H33NO2 — CID 63524112

IUPACethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-5-21-16(20)18(19-15-8-6-7-9-15)12-10-14(11-13-18)17(2,3)4/h14-15,19H,5-13H2,1-4H3
InChIKeyPMSNZQLPHJXVMI-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.06
Rot. Bonds4

About ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate

ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate (PubChem CID 63524112) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
PubChem CID63524112
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Nameethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33NO2/c1-5-21-16(20)18(19-15-8-6-7-9-15)12-10-14(11-13-18)17(2,3)4/h14-15,19H,5-13H2,1-4H3
InChIKeyPMSNZQLPHJXVMI-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-tert-butyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
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ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
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ethyl 3-(cycloheptylamino)-5-methylthiolane-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate (CID 63524112) is ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate is CCOC(=O)C1(NC2CCCC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate?
The InChIKey is PMSNZQLPHJXVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-21-16(20)18(19-15-8-6-7-9-15)12-10-14(11-13-18)17(2,3)4/h14-15,19H,5-13H2,1-4H3.
What are the key properties of ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate?
ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate has a molecular weight of 295.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-tert-butyl-1-(cyclopentylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 63524112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).