ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate

C16H30N2O3 — CID 79645896

IUPACethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(N2CCOCC2CC)C1
InChIInChI=1S/C16H30N2O3/c1-4-13-12-20-10-9-18(13)14-7-8-16(11-14,17-5-2)15(19)21-6-3/h13-14,17H,4-12H2,1-3H3
InChIKeyZIJBSNRQQXXJJN-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.56
Rot. Bonds6

About ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate

ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate (PubChem CID 79645896) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate
PubChem CID79645896
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(N2CCOCC2CC)C1
InChIInChI=1S/C16H30N2O3/c1-4-13-12-20-10-9-18(13)14-7-8-16(11-14,17-5-2)15(19)21-6-3/h13-14,17H,4-12H2,1-3H3
InChIKeyZIJBSNRQQXXJJN-UHFFFAOYSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79645895
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79649918
ethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743477
3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626631
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate
CID 115561553
ethyl 1-(cyclopropylamino)-3-morpholin-4-ylcyclopentane-1-carboxylate
CID 79650253
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646189
ethyl 3-(3,3-dimethylmorpholin-4-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79627679
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate (CID 79645896) is ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCC(N2CCOCC2CC)C1.
What is the InChIKey of ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate?
The InChIKey is ZIJBSNRQQXXJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-13-12-20-10-9-18(13)14-7-8-16(11-14,17-5-2)15(19)21-6-3/h13-14,17H,4-12H2,1-3H3.
What are the key properties of ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate?
ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79645896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).