ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate

C13H26N2O2 — CID 79649561

IUPACethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(N(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-9-14-13(12(16)17-6-2)8-7-11(10-13)15(3)4/h11,14H,5-10H2,1-4H3
InChIKeySYTXALBRHZSXFE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate

ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate (PubChem CID 79649561) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
PubChem CID79649561
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCC(N(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-9-14-13(12(16)17-6-2)8-7-11(10-13)15(3)4/h11,14H,5-10H2,1-4H3
InChIKeySYTXALBRHZSXFE-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 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
ethyl 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64755728
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
methyl 3-[2-ethoxyethyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 81062579
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylate
CID 79654798
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265
ethyl 3-(oxan-4-ylsulfanyl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79646481
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate (CID 79649561) is ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate is CCCNC1(C(=O)OCC)CCC(N(C)C)C1.
What is the InChIKey of ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate?
The InChIKey is SYTXALBRHZSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-9-14-13(12(16)17-6-2)8-7-11(10-13)15(3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate?
ethyl 3-(dimethylamino)-1-(propylamino)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 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).