2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol

C13H25NO2 — CID 154947570

IUPAC2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol
SMILESCC1C=C(NCCOCCO)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-11-8-12(10-13(2,3)9-11)14-4-6-16-7-5-15/h8,11,14-15H,4-7,9-10H2,1-3H3
InChIKeyUZPUVIWUHFYYMO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.92
Rot. Bonds6

About 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol

2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol (PubChem CID 154947570) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol
PubChem CID154947570
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol
SMILESCC1C=C(NCCOCCO)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-11-8-12(10-13(2,3)9-11)14-4-6-16-7-5-15/h8,11,14-15H,4-7,9-10H2,1-3H3
InChIKeyUZPUVIWUHFYYMO-UHFFFAOYSA-N
XLogP1.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol (CID 154947570) is 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol is CC1C=C(NCCOCCO)CC(C)(C)C1.
What is the InChIKey of 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol?
The InChIKey is UZPUVIWUHFYYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-8-12(10-13(2,3)9-11)14-4-6-16-7-5-15/h8,11,14-15H,4-7,9-10H2,1-3H3.
What are the key properties of 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol?
2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5,5-trimethylcyclohexen-1-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 154947570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).