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

C13H26N2O2 — CID 79649954

IUPACethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
SMILESCCCN(C)C1CCC(NC)(C(=O)OCC)C1
InChIInChI=1S/C13H26N2O2/c1-5-9-15(4)11-7-8-13(10-11,14-3)12(16)17-6-2/h11,14H,5-10H2,1-4H3
InChIKeyFPCMSMPDUVCVBI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

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

ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate (PubChem CID 79649954) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
PubChem CID79649954
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
SMILESCCCN(C)C1CCC(NC)(C(=O)OCC)C1
InChIInChI=1S/C13H26N2O2/c1-5-9-15(4)11-7-8-13(10-11,14-3)12(16)17-6-2/h11,14H,5-10H2,1-4H3
InChIKeyFPCMSMPDUVCVBI-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 81062759
ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate
CID 79858913
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79647195
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-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate (CID 79649954) is ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate is CCCN(C)C1CCC(NC)(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate?
The InChIKey is FPCMSMPDUVCVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-9-15(4)11-7-8-13(10-11,14-3)12(16)17-6-2/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate?
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79649954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).