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

C12H24N2O2 — CID 79654804

IUPACethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(N(C)CC)C1
InChIInChI=1S/C12H24N2O2/c1-5-14(4)10-7-8-12(9-10,13-3)11(15)16-6-2/h10,13H,5-9H2,1-4H3
InChIKeyVBIHAHXGJLXICG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds5

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

ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79654804) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79654804
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC(N(C)CC)C1
InChIInChI=1S/C12H24N2O2/c1-5-14(4)10-7-8-12(9-10,13-3)11(15)16-6-2/h10,13H,5-9H2,1-4H3
InChIKeyVBIHAHXGJLXICG-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(methylamino)-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79649954
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-[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
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79647195
ethyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79636441
ethyl 3-[cyclopropylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641847
ethyl 1-(methylamino)-3-[methyl(propan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636967
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79649689
ethyl 3-[cyclopropylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79655565

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate (CID 79654804) is ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NC)CCC(N(C)CC)C1.
What is the InChIKey of ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is VBIHAHXGJLXICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14(4)10-7-8-12(9-10,13-3)11(15)16-6-2/h10,13H,5-9H2,1-4H3.
What are the key properties of ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79654804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).