1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol

C10H23NO2 — CID 86739621

IUPAC1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol
SMILESCCC(C)(CC)NCCOC(C)O
InChIInChI=1S/C10H23NO2/c1-5-10(4,6-2)11-7-8-13-9(3)12/h9,11-12H,5-8H2,1-4H3
InChIKeyVBNLLPUIYKNGFT-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.51
Rot. Bonds7

About 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol

1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol (PubChem CID 86739621) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol
PubChem CID86739621
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol
SMILESCCC(C)(CC)NCCOC(C)O
InChIInChI=1S/C10H23NO2/c1-5-10(4,6-2)11-7-8-13-9(3)12/h9,11-12H,5-8H2,1-4H3
InChIKeyVBNLLPUIYKNGFT-UHFFFAOYSA-N
XLogP1.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol?
The IUPAC name of 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol (CID 86739621) is 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol.
What is the SMILES notation for 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol?
The canonical SMILES for 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol is CCC(C)(CC)NCCOC(C)O.
What is the InChIKey of 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol?
The InChIKey is VBNLLPUIYKNGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-5-10(4,6-2)11-7-8-13-9(3)12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol?
1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol has a molecular weight of 189.30 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpentan-3-ylamino)ethoxy]ethanol is sourced from PubChem (CID 86739621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).