methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate

C15H30N2O3 — CID 79655499

IUPACmethyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(N(CCOC)CC(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-12(2)11-17(8-9-19-4)13-6-7-15(10-13,16-3)14(18)20-5/h12-13,16H,6-11H2,1-5H3
InChIKeyQHJKVYAERGDTNE-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.27
Rot. Bonds8

About methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate

methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate (PubChem CID 79655499) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
PubChem CID79655499
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
SMILESCNC1(C(=O)OC)CCC(N(CCOC)CC(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-12(2)11-17(8-9-19-4)13-6-7-15(10-13,16-3)14(18)20-5/h12-13,16H,6-11H2,1-5H3
InChIKeyQHJKVYAERGDTNE-UHFFFAOYSA-N
XLogP1.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
ethyl 3-[bis(2-methoxyethyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79647195
[3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79655970
methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 82961022
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627687
methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79642304
3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79640026
1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 79641945
methyl 3-[cyclopropyl(2-methoxyethyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79655587
methyl 1-(methylamino)-3-(3-methylbutoxy)cyclohexane-1-carboxylate
CID 79637171
methyl 3-[cyclobutylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 107401088
methyl 3-[cyclohexylmethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79650899

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate (CID 79655499) is methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate is CNC1(C(=O)OC)CCC(N(CCOC)CC(C)C)C1.
What is the InChIKey of methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
The InChIKey is QHJKVYAERGDTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)11-17(8-9-19-4)13-6-7-15(10-13,16-3)14(18)20-5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate?
methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79655499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).