methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate

C15H28N2O2 — CID 79649918

IUPACmethyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(N2CCCC2CC)C1
InChIInChI=1S/C15H28N2O2/c1-4-12-7-6-10-17(12)13-8-9-15(11-13,16-5-2)14(18)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeyGDBUVIOTNOZGBH-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds5

About methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate

methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate (PubChem CID 79649918) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
PubChem CID79649918
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(N2CCCC2CC)C1
InChIInChI=1S/C15H28N2O2/c1-4-12-7-6-10-17(12)13-8-9-15(11-13,16-5-2)14(18)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeyGDBUVIOTNOZGBH-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylate
CID 79654810
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79651308
methyl 1-(ethylamino)-3-(2-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79636339
methyl 3-(2-ethylpiperidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636980
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79633977
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate
CID 79645896
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79656929
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79645895
methyl 1-amino-3-(2-ethylazepan-1-yl)cyclohexane-1-carboxylate
CID 104691659

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate (CID 79649918) is methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCC(N2CCCC2CC)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate?
The InChIKey is GDBUVIOTNOZGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-12-7-6-10-17(12)13-8-9-15(11-13,16-5-2)14(18)19-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).