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

C13H26N2O3 — CID 79642304

IUPACmethyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N(C)CCOC)C1
InChIInChI=1S/C13H26N2O3/c1-14-13(12(16)18-4)7-5-6-11(10-13)15(2)8-9-17-3/h11,14H,5-10H2,1-4H3
InChIKeyFWFSEJBYMMPEOZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.64
Rot. Bonds6

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

methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 79642304) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID79642304
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N(C)CCOC)C1
InChIInChI=1S/C13H26N2O3/c1-14-13(12(16)18-4)7-5-6-11(10-13)15(2)8-9-17-3/h11,14H,5-10H2,1-4H3
InChIKeyFWFSEJBYMMPEOZ-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 82961022
3-[2-methoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79641824
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627687
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641955
methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
methyl 1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylate
CID 81044395
methyl 3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79655499
methyl 3-[cyclobutylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 107401088
methyl 3-[cyclohexylmethyl(methyl)amino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79650899
methyl 1-(ethylamino)-3-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylate
CID 79642096
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79626339

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate (CID 79642304) is methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate is CNC1(C(=O)OC)CCCC(N(C)CCOC)C1.
What is the InChIKey of methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is FWFSEJBYMMPEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-14-13(12(16)18-4)7-5-6-11(10-13)15(2)8-9-17-3/h11,14H,5-10H2,1-4H3.
What are the key properties of methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79642304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).