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

C13H27NO3 — CID 111448367

IUPAC2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol
SMILESCCOC1CC(N(C)CCOCCO)C1(C)C
InChIInChI=1S/C13H27NO3/c1-5-17-12-10-11(13(12,2)3)14(4)6-8-16-9-7-15/h11-12,15H,5-10H2,1-4H3
InChIKeyWWVFUYRJCMSTGC-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.13
Rot. Bonds8

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

2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol (PubChem CID 111448367) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol
PubChem CID111448367
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol
SMILESCCOC1CC(N(C)CCOCCO)C1(C)C
InChIInChI=1S/C13H27NO3/c1-5-17-12-10-11(13(12,2)3)14(4)6-8-16-9-7-15/h11-12,15H,5-10H2,1-4H3
InChIKeyWWVFUYRJCMSTGC-UHFFFAOYSA-N
XLogP1.13
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.13
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 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol (CID 111448367) is 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol is CCOC1CC(N(C)CCOCCO)C1(C)C.
What is the InChIKey of 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol?
The InChIKey is WWVFUYRJCMSTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-17-12-10-11(13(12,2)3)14(4)6-8-16-9-7-15/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol?
2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol has a molecular weight of 245.36 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylamino]ethoxy]ethanol is sourced from PubChem (CID 111448367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).