2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate

C13H25NO4 — CID 104563304

IUPAC2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESCOCCOCCOC(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H25NO4/c1-16-6-7-17-8-9-18-13(15)12-4-2-11(10-14)3-5-12/h11-12H,2-10,14H2,1H3
InChIKeyGWZUVTHDSTYZAF-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.96
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate

2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 104563304) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID104563304
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESCOCCOCCOC(=O)C1CCC(CN)CC1
InChIInChI=1S/C13H25NO4/c1-16-6-7-17-8-9-18-13(15)12-4-2-11(10-14)3-5-12/h11-12H,2-10,14H2,1H3
InChIKeyGWZUVTHDSTYZAF-UHFFFAOYSA-N
XLogP0.96
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.96
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate (CID 104563304) is 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate is COCCOCCOC(=O)C1CCC(CN)CC1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is GWZUVTHDSTYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-16-6-7-17-8-9-18-13(15)12-4-2-11(10-14)3-5-12/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate?
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 104563304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).