ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate

C14H28N2O3 — CID 81062759

IUPACethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCOCCN(C)C1CCC(NC)(C(=O)OCC)C1
InChIInChI=1S/C14H28N2O3/c1-5-18-10-9-16(4)12-7-8-14(11-12,15-3)13(17)19-6-2/h12,15H,5-11H2,1-4H3
InChIKeyGIWQZHPNXFWTEU-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds8

About ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate

ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 81062759) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID81062759
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCOCCN(C)C1CCC(NC)(C(=O)OCC)C1
InChIInChI=1S/C14H28N2O3/c1-5-18-10-9-16(4)12-7-8-14(11-12,15-3)13(17)19-6-2/h12,15H,5-11H2,1-4H3
InChIKeyGIWQZHPNXFWTEU-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate
CID 79858913
3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 81061547
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79647195
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 81062579
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 81062382
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
ethyl 3-[bis(cyclopropylmethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645182
ethyl 1-(methylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655405
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641939
methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79642304

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate (CID 81062759) is ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate is CCOCCN(C)C1CCC(NC)(C(=O)OCC)C1.
What is the InChIKey of ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is GIWQZHPNXFWTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-18-10-9-16(4)12-7-8-14(11-12,15-3)13(17)19-6-2/h12,15H,5-11H2,1-4H3.
What are the key properties of ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 81062759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).