4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine

C10H16N2O3 — CID 171796381

IUPAC4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine
SMILESCOC(COCc1ccnc(N)c1)OC
InChIInChI=1S/C10H16N2O3/c1-13-10(14-2)7-15-6-8-3-4-12-9(11)5-8/h3-5,10H,6-7H2,1-2H3,(H2,11,12)
InChIKeyONZYYWJFGLUBJJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.80
Rot. Bonds6

About 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine

4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine (PubChem CID 171796381) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine
PubChem CID171796381
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine
SMILESCOC(COCc1ccnc(N)c1)OC
InChIInChI=1S/C10H16N2O3/c1-13-10(14-2)7-15-6-8-3-4-12-9(11)5-8/h3-5,10H,6-7H2,1-2H3,(H2,11,12)
InChIKeyONZYYWJFGLUBJJ-UHFFFAOYSA-N
XLogP0.80
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine?
The IUPAC name of 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine (CID 171796381) is 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine?
The canonical SMILES for 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine is COC(COCc1ccnc(N)c1)OC.
What is the InChIKey of 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine?
The InChIKey is ONZYYWJFGLUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-13-10(14-2)7-15-6-8-3-4-12-9(11)5-8/h3-5,10H,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine?
4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine has a molecular weight of 212.25 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 171796381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).