2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine

C14H27NO2 — CID 55088158

IUPAC2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine
SMILESCCOCCNCCOCC1CC=CCC1C
InChIInChI=1S/C14H27NO2/c1-3-16-10-8-15-9-11-17-12-14-7-5-4-6-13(14)2/h4-5,13-15H,3,6-12H2,1-2H3
InChIKeyNISDYTBSAWWYJJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.23
Rot. Bonds9

About 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine

2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine (PubChem CID 55088158) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine
PubChem CID55088158
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine
SMILESCCOCCNCCOCC1CC=CCC1C
InChIInChI=1S/C14H27NO2/c1-3-16-10-8-15-9-11-17-12-14-7-5-4-6-13(14)2/h4-5,13-15H,3,6-12H2,1-2H3
InChIKeyNISDYTBSAWWYJJ-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine (CID 55088158) is 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine is CCOCCNCCOCC1CC=CCC1C.
What is the InChIKey of 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine?
The InChIKey is NISDYTBSAWWYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-16-10-8-15-9-11-17-12-14-7-5-4-6-13(14)2/h4-5,13-15H,3,6-12H2,1-2H3.
What are the key properties of 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine?
2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine is sourced from PubChem (CID 55088158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).