2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol

C9H21NO3 — CID 15176697

IUPAC2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol
SMILESCC(C)NCCOCCOCCO
InChIInChI=1S/C9H21NO3/c1-9(2)10-3-5-12-7-8-13-6-4-11/h9-11H,3-8H2,1-2H3
InChIKeySAAJBXYUPFMGBK-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.01
Rot. Bonds9

About 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol

2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol (PubChem CID 15176697) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol
PubChem CID15176697
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol
SMILESCC(C)NCCOCCOCCO
InChIInChI=1S/C9H21NO3/c1-9(2)10-3-5-12-7-8-13-6-4-11/h9-11H,3-8H2,1-2H3
InChIKeySAAJBXYUPFMGBK-UHFFFAOYSA-N
XLogP0.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.01
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-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol (CID 15176697) is 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol is CC(C)NCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol?
The InChIKey is SAAJBXYUPFMGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-9(2)10-3-5-12-7-8-13-6-4-11/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol?
2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol has a molecular weight of 191.27 g/mol, XLogP of 0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 15176697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).