2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate

C13H25NO4 — CID 104563373

IUPAC2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate
SMILESCOCCOCCOC(=O)C1(N)CCCCC1C
InChIInChI=1S/C13H25NO4/c1-11-5-3-4-6-13(11,14)12(15)18-10-9-17-8-7-16-2/h11H,3-10,14H2,1-2H3
InChIKeyZECBMNMTCZOPPK-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.10
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate

2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate (PubChem CID 104563373) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate
PubChem CID104563373
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate
SMILESCOCCOCCOC(=O)C1(N)CCCCC1C
InChIInChI=1S/C13H25NO4/c1-11-5-3-4-6-13(11,14)12(15)18-10-9-17-8-7-16-2/h11H,3-10,14H2,1-2H3
InChIKeyZECBMNMTCZOPPK-UHFFFAOYSA-N
XLogP1.10
TPSA70.78 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 ≤ 51.10
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

2-(3-methoxypropoxy)ethyl 1-aminocyclopropane-1-carboxylate
CID 103178488
3-(2-methoxyethoxy)propyl 1-amino-4-methylcyclohexane-1-carboxylate
CID 103403497
2-(3-methoxypropoxy)ethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 103178541
pentan-2-yl 1-amino-2-methylcyclohexane-1-carboxylate
CID 102982441
ethyl 1-amino-2-(3-methoxypropyl)cyclohexane-1-carboxylate
CID 67920795
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
1-amino-N-[4-(2-methoxyethoxy)butyl]cyclobutane-1-carboxamide
CID 113463827
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
CID 104562939
2-(3-methoxypropoxy)ethyl 4-methylpiperidine-4-carboxylate
CID 103178608
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cycloheptan-1-amine
CID 104568568
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclohexan-1-amine
CID 104564416

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate (CID 104563373) is 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate is COCCOCCOC(=O)C1(N)CCCCC1C.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate?
The InChIKey is ZECBMNMTCZOPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-11-5-3-4-6-13(11,14)12(15)18-10-9-17-8-7-16-2/h11H,3-10,14H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate?
2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 1-amino-2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 104563373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).