3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine

C13H22N2O — CID 103183318

IUPAC3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine
SMILESCCCC(C)OCc1ncc(C)c(N)c1C
InChIInChI=1S/C13H22N2O/c1-5-6-10(3)16-8-12-11(4)13(14)9(2)7-15-12/h7,10H,5-6,8H2,1-4H3,(H2,14,15)
InChIKeyPQGIZDZGJHPBNJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.99
Rot. Bonds5

About 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine

3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine (PubChem CID 103183318) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine
PubChem CID103183318
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine
SMILESCCCC(C)OCc1ncc(C)c(N)c1C
InChIInChI=1S/C13H22N2O/c1-5-6-10(3)16-8-12-11(4)13(14)9(2)7-15-12/h7,10H,5-6,8H2,1-4H3,(H2,14,15)
InChIKeyPQGIZDZGJHPBNJ-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine (CID 103183318) is 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine is CCCC(C)OCc1ncc(C)c(N)c1C.
What is the InChIKey of 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine?
The InChIKey is PQGIZDZGJHPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-6-10(3)16-8-12-11(4)13(14)9(2)7-15-12/h7,10H,5-6,8H2,1-4H3,(H2,14,15).
What are the key properties of 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine?
3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine has a molecular weight of 222.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(pentan-2-yloxymethyl)pyridin-4-amine is sourced from PubChem (CID 103183318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).