2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine

C9H21NO3 — CID 65053170

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine
SMILESCOCCOCCOC(C)(C)CN
InChIInChI=1S/C9H21NO3/c1-9(2,8-10)13-7-6-12-5-4-11-3/h4-8,10H2,1-3H3
InChIKeyAFYUTZNZYRQBHU-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.40
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine

2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine (PubChem CID 65053170) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine
PubChem CID65053170
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine
SMILESCOCCOCCOC(C)(C)CN
InChIInChI=1S/C9H21NO3/c1-9(2,8-10)13-7-6-12-5-4-11-3/h4-8,10H2,1-3H3
InChIKeyAFYUTZNZYRQBHU-UHFFFAOYSA-N
XLogP0.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.40
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-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine (CID 65053170) is 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine is COCCOCCOC(C)(C)CN.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine?
The InChIKey is AFYUTZNZYRQBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3/c1-9(2,8-10)13-7-6-12-5-4-11-3/h4-8,10H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine?
2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine has a molecular weight of 191.27 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-1-amine is sourced from PubChem (CID 65053170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).