ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate

C15H30N2O2 — CID 79649689

IUPACethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCCCN(C)C1CCC(NCC)(C(=O)OCC)C1
InChIInChI=1S/C15H30N2O2/c1-5-8-11-17(4)13-9-10-15(12-13,16-6-2)14(18)19-7-3/h13,16H,5-12H2,1-4H3
InChIKeyGYASMAUGZLPFHI-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds8

About ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate

ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 79649689) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID79649689
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCCCN(C)C1CCC(NCC)(C(=O)OCC)C1
InChIInChI=1S/C15H30N2O2/c1-5-8-11-17(4)13-9-10-15(12-13,16-6-2)14(18)19-7-3/h13,16H,5-12H2,1-4H3
InChIKeyGYASMAUGZLPFHI-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636878
ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
ethyl 1-(ethylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655265
ethyl 3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 81062759
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
ethyl 1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclopentane-1-carboxylate
CID 82743477
methyl 3-[butyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649533
ethyl 1-(ethylamino)-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79649720
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79654804
ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646666
ethyl 1-(methylamino)-3-[methyl(2-methylsulfonylethyl)amino]cyclopentane-1-carboxylate
CID 79858913

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate (CID 79649689) is ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate is CCCCN(C)C1CCC(NCC)(C(=O)OCC)C1.
What is the InChIKey of ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is GYASMAUGZLPFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-8-11-17(4)13-9-10-15(12-13,16-6-2)14(18)19-7-3/h13,16H,5-12H2,1-4H3.
What are the key properties of ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate?
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).