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

C15H30N2O3 — CID 81062579

IUPACmethyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(N(C)CCOCC)C1
InChIInChI=1S/C15H30N2O3/c1-5-9-16-15(14(18)19-4)8-7-13(12-15)17(3)10-11-20-6-2/h13,16H,5-12H2,1-4H3
InChIKeyCJGIQMRVOBOADQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds9

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

methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 81062579) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID81062579
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OC)CCC(N(C)CCOCC)C1
InChIInChI=1S/C15H30N2O3/c1-5-9-16-15(14(18)19-4)8-7-13(12-15)17(3)10-11-20-6-2/h13,16H,5-12H2,1-4H3
InChIKeyCJGIQMRVOBOADQ-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
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

3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 81061547
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 81062382
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 81062759
3-[3-methoxypropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79651627
methyl 3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79647415
methyl 3-[1-cyclopropylethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79655704
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649533
methyl 1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylate
CID 81044395

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate (CID 81062579) is methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OC)CCC(N(C)CCOCC)C1.
What is the InChIKey of methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is CJGIQMRVOBOADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-9-16-15(14(18)19-4)8-7-13(12-15)17(3)10-11-20-6-2/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate?
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 81062579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).