ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate

C14H27NO3 — CID 103256601

IUPACethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNC1CCCCC1(C)C
InChIInChI=1S/C14H27NO3/c1-4-18-13(16)11-17-10-9-15-12-7-5-6-8-14(12,2)3/h12,15H,4-11H2,1-3H3
InChIKeyKSVAPBINBZSOPF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds7

About ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate

ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate (PubChem CID 103256601) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate
PubChem CID103256601
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate
SMILESCCOC(=O)COCCNC1CCCCC1(C)C
InChIInChI=1S/C14H27NO3/c1-4-18-13(16)11-17-10-9-15-12-7-5-6-8-14(12,2)3/h12,15H,4-11H2,1-3H3
InChIKeyKSVAPBINBZSOPF-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate (CID 103256601) is ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate is CCOC(=O)COCCNC1CCCCC1(C)C.
What is the InChIKey of ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate?
The InChIKey is KSVAPBINBZSOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-18-13(16)11-17-10-9-15-12-7-5-6-8-14(12,2)3/h12,15H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate?
ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate is sourced from PubChem (CID 103256601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).