2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine

C13H22N2 — CID 59446206

IUPAC2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H22N2/c1-13(2,3)11-6-7-12(14-10-11)8-9-15(4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyMRZOCNQVZGBQCT-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.48
Rot. Bonds3

About 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine

2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine (PubChem CID 59446206) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine
PubChem CID59446206
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H22N2/c1-13(2,3)11-6-7-12(14-10-11)8-9-15(4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyMRZOCNQVZGBQCT-UHFFFAOYSA-N
XLogP2.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine 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 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine (CID 59446206) is 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine is CN(C)CCc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine?
The InChIKey is MRZOCNQVZGBQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-13(2,3)11-6-7-12(14-10-11)8-9-15(4)5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine?
2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine has a molecular weight of 206.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine is sourced from PubChem (CID 59446206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).