2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine

C13H27NO — CID 63861508

IUPAC2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine
SMILESCCC1CCCCC1CCNCCOC
InChIInChI=1S/C13H27NO/c1-3-12-6-4-5-7-13(12)8-9-14-10-11-15-2/h12-14H,3-11H2,1-2H3
InChIKeyWCLJWTYJSWYGCH-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds7

About 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine

2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 63861508) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine
PubChem CID63861508
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine
SMILESCCC1CCCCC1CCNCCOC
InChIInChI=1S/C13H27NO/c1-3-12-6-4-5-7-13(12)8-9-14-10-11-15-2/h12-14H,3-11H2,1-2H3
InChIKeyWCLJWTYJSWYGCH-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine (CID 63861508) is 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine is CCC1CCCCC1CCNCCOC.
What is the InChIKey of 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is WCLJWTYJSWYGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-12-6-4-5-7-13(12)8-9-14-10-11-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine?
2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 63861508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).