5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine

C11H18N2O3 — CID 104562052

IUPAC5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine
SMILESCOCCOCCOCc1ccc(N)nc1
InChIInChI=1S/C11H18N2O3/c1-14-4-5-15-6-7-16-9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3,(H2,12,13)
InChIKeySKXZJGDCLRIPCI-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.84
Rot. Bonds8

About 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine

5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine (PubChem CID 104562052) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine
PubChem CID104562052
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine
SMILESCOCCOCCOCc1ccc(N)nc1
InChIInChI=1S/C11H18N2O3/c1-14-4-5-15-6-7-16-9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3,(H2,12,13)
InChIKeySKXZJGDCLRIPCI-UHFFFAOYSA-N
XLogP0.84
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine?
The IUPAC name of 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine (CID 104562052) is 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine?
The canonical SMILES for 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine is COCCOCCOCc1ccc(N)nc1.
What is the InChIKey of 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine?
The InChIKey is SKXZJGDCLRIPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-14-4-5-15-6-7-16-9-10-2-3-11(12)13-8-10/h2-3,8H,4-7,9H2,1H3,(H2,12,13).
What are the key properties of 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine?
5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine has a molecular weight of 226.28 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine is sourced from PubChem (CID 104562052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).