2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol

C12H25NO3 — CID 64852487

IUPAC2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol
SMILESCCOC1CC(NCCOCCO)C1(C)C
InChIInChI=1S/C12H25NO3/c1-4-16-11-9-10(12(11,2)3)13-5-7-15-8-6-14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyIDDUNPDMDQSOKO-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.79
Rot. Bonds8

About 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol

2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol (PubChem CID 64852487) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol
PubChem CID64852487
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol
SMILESCCOC1CC(NCCOCCO)C1(C)C
InChIInChI=1S/C12H25NO3/c1-4-16-11-9-10(12(11,2)3)13-5-7-15-8-6-14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyIDDUNPDMDQSOKO-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
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 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol (CID 64852487) is 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol is CCOC1CC(NCCOCCO)C1(C)C.
What is the InChIKey of 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol?
The InChIKey is IDDUNPDMDQSOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-16-11-9-10(12(11,2)3)13-5-7-15-8-6-14/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol?
2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol has a molecular weight of 231.34 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]ethoxy]ethanol is sourced from PubChem (CID 64852487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).