methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate

C14H26N2O3 — CID 82743319

IUPACmethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(N(C)C2CCOC2)C1
InChIInChI=1S/C14H26N2O3/c1-4-15-14(13(17)18-3)7-5-11(9-14)16(2)12-6-8-19-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyOFIWFIJNKKPEDH-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds5

About methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate

methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate (PubChem CID 82743319) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
PubChem CID82743319
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(N(C)C2CCOC2)C1
InChIInChI=1S/C14H26N2O3/c1-4-15-14(13(17)18-3)7-5-11(9-14)16(2)12-6-8-19-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyOFIWFIJNKKPEDH-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxylate
CID 82743238
ethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743477
methyl 1-(methylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743325
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxamide
CID 82743164
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79655587
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
methyl (1S)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentane-1-carboxylate
CID 71088341
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate (CID 82743319) is methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCC(N(C)C2CCOC2)C1.
What is the InChIKey of methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate?
The InChIKey is OFIWFIJNKKPEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-15-14(13(17)18-3)7-5-11(9-14)16(2)12-6-8-19-10-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate?
methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 82743319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).