ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate

C13H25NO4 — CID 106873125

IUPACethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NCCOC)CCCCC1OC
InChIInChI=1S/C13H25NO4/c1-4-18-12(15)13(14-9-10-16-2)8-6-5-7-11(13)17-3/h11,14H,4-10H2,1-3H3
InChIKeyKJPIXSNNMKYGDO-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.11
Rot. Bonds7

About ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate

ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate (PubChem CID 106873125) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate
PubChem CID106873125
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NCCOC)CCCCC1OC
InChIInChI=1S/C13H25NO4/c1-4-18-12(15)13(14-9-10-16-2)8-6-5-7-11(13)17-3/h11,14H,4-10H2,1-3H3
InChIKeyKJPIXSNNMKYGDO-UHFFFAOYSA-N
XLogP1.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methoxy-1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 106873124
ethyl 2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 106873081
ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873112
1-[2-(diethylamino)ethylamino]-2-methoxycyclohexane-1-carboxamide
CID 106872875
ethyl 1-(2-chloroanilino)-2-methoxycyclohexane-1-carboxylate
CID 106872999
methyl 1-(3-azidopropylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873198
ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65086215
ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
CID 64516424
2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 106872898
ethyl 2-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 105401874
ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 62541011
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate (CID 106873125) is ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate is CCOC(=O)C1(NCCOC)CCCCC1OC.
What is the InChIKey of ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate?
The InChIKey is KJPIXSNNMKYGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-4-18-12(15)13(14-9-10-16-2)8-6-5-7-11(13)17-3/h11,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate?
ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-1-(2-methoxyethylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 106873125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).